Chemcad 6 User Guide

CHEMCAD Version 6
User Guide

All material © 2007 Chemstations, Inc.
CHEMCAD Version 6 User Guide
Table of Contents
Chapter 1 – Introduction to CHEMCAD .............................................................................................. 1
Overview of CHEMCAD and Its Uses ................................................................................................ 1
CHEMCAD Products and Features ................................................................................................. 3
CC-STEADY STATE .......................................................................................................................................3
CC-DYNAMICS ...............................................................................................................................................3
CC-BATCH .......................................................................................................................................................3
CC-THERM.......................................................................................................................................................3
CC-SAFETY NET.............................................................................................................................................3
CC-FLASH........................................................................................................................................................3
CHEMCAD Features by Module...................................................................................................... 4
UnitOps by Module............................................................................................................................ 5
Chapter 2 – Getting Started with CHEMCAD..................................................................................... 7
Installing the Software ........................................................................................................................... 7
Licensing CHEMCAD ......................................................................................................................... 10
Types of CHEMCAD Licenses........................................................................................................ 10
License Settings ................................................................................................................................. 11
Updating a License ........................................................................................................................... 12
Getting Help with CHEMCAD .......................................................................................................... 14
Online Help ....................................................................................................................................... 14
CHEMCAD Coach............................................................................................................................ 15
Procedure Demos.............................................................................................................................. 15
The Chemstations Web Site............................................................................................................. 15
Contacting Chemstations Technical Support ............................................................................... 15
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Chapter 3 – The CHEMCAD Interface................................................................................................ 17
The CHEMCAD Window ................................................................................................................... 17
The Workspace.................................................................................................................................. 18
The CHEMCAD Explorer Pane ...................................................................................................... 18
The Recent Files Tab .......................................................................................................................................19
The Simulation Tab .........................................................................................................................................19
The Visual Basic Tab.......................................................................................................................................20
The Palette Pane ................................................................................................................................ 20
Selecting a Palette............................................................................................................................................20
Customizing Palettes .......................................................................................................................................21
The Messages Pane ........................................................................................................................... 22
The Errors and Warnings Tab..........................................................................................................................22
The Run Trace Tab ..........................................................................................................................................22
The Notes Tab .................................................................................................................................................23
The Main Menu................................................................................................................................. 23
The Toolbar........................................................................................................................................ 23
Customizing the CHEMCAD Screen................................................................................................. 23
Viewing and Hiding Screen Elements ........................................................................................... 24
Resizing and Moving Items............................................................................................................. 24
Resizing a Pane................................................................................................................................................24
Moving a Pane .................................................................................................................................................25
Pinning and Unpinning Panes........................................................................................................ 25
Other Useful Interface Hints............................................................................................................... 26
Undo and Redo ................................................................................................................................. 26
Visible Grid........................................................................................................................................ 26
Adjusting Your View of the Workspace........................................................................................ 27
The CHEMCAD Coach Pane .......................................................................................................... 27
Chapter 4 – Working with Simulation Files ...................................................................................... 29
About CHEMCAD Simulation Files.................................................................................................. 29
User Components in CHEMCAD .................................................................................................. 30
Example Files..................................................................................................................................... 30
Opening an Existing Simulation ........................................................................................................ 31
Creating a New Simulation................................................................................................................. 31
Saving a Simulation.............................................................................................................................. 32
Saving Different Cases for the Same Simulation.......................................................................... 32
E‐mailing a Simulation ........................................................................................................................ 33
Working with CHEMCAD Files from Previous Versions .............................................................. 33

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Table of Contents
Chapter 5 – Building and Using a Basic Simulation ........................................................................ 35
Starting a New Simulation .................................................................................................................. 35
Selecting Engineering Units................................................................................................................ 36
Drawing the Flowsheet........................................................................................................................ 36
Adding UnitOps ............................................................................................................................... 36
Selecting a Default Icon for a UnitOp ............................................................................................ 37
Manipulating UnitOp Icons ............................................................................................................ 38
Drawing and Connecting a Stream ................................................................................................ 38
Choosing a Stream Route ................................................................................................................................39
Rerouting a Stream ..........................................................................................................................................39
Other Drawing Tools........................................................................................................................ 40
The Text Tool ..................................................................................................................................................40
Simple Drawing Tools: Rectangle, Ellipse, and Line ......................................................................................40
Complex Drawing Tools: Multi-line and Polygon ..........................................................................................40
Selecting Chemical Components........................................................................................................ 41
Finding a Component ...................................................................................................................... 41
Adding a Component....................................................................................................................... 42
Changing the Order of Selected Components .............................................................................. 43
Removing Items from the Selected Components List ................................................................. 43
Selecting K‐value and Enthalpy Options .......................................................................................... 44
Using the Thermodynamics Wizard .............................................................................................. 44
Selecting Components to Ignore......................................................................................................................44
Specifying Process Conditions ........................................................................................................................44
How the Thermodynamics Wizard Makes Suggestions ..................................................................................44
Should the Thermodynamics Wizard be trusted to make design decisions? ...................................................45
Manually Selecting Thermodynamics Settings ............................................................................ 45
Defining Streams .................................................................................................................................. 46
Thermodynamic Properties............................................................................................................. 46
Stream Composition ......................................................................................................................... 46
Total Flow Properties ....................................................................................................................... 47
Specifying Equipment Parameters..................................................................................................... 47
Running the Simulation....................................................................................................................... 48
Reviewing the Results.......................................................................................................................... 48
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Chapter 6 – Using CHEMCAD for High‐fidelity Modeling........................................................... 49
What is high‐fidelity modeling?......................................................................................................... 49
Criteria for High‐fidelity Modeling ................................................................................................... 50
Introduction to Equipment Sizing ..................................................................................................... 50
High‐fidelity Modeling and Sizing for Common UnitOps ............................................................ 51
Piping.................................................................................................................................................. 51
Low-fidelity .....................................................................................................................................................51
Sizing...............................................................................................................................................................51
High-fidelity ....................................................................................................................................................51
Pumps, Compressors, and Expanders ........................................................................................... 52
Low-fidelity .....................................................................................................................................................52
High-fidelity ....................................................................................................................................................52
Vessels and Tanks............................................................................................................................. 52
Low-fidelity .....................................................................................................................................................52
Sizing...............................................................................................................................................................53
High-fidelity ....................................................................................................................................................53
Valves ................................................................................................................................................. 53
Low-fidelity .....................................................................................................................................................53
Sizing...............................................................................................................................................................54
High-fidelity ....................................................................................................................................................54
Columns ............................................................................................................................................. 54
Low-fidelity .....................................................................................................................................................54
Sizing...............................................................................................................................................................54
High-fidelity ....................................................................................................................................................55
Heat Exchangers ............................................................................................................................... 56
Low-fidelity .....................................................................................................................................................56
Sizing...............................................................................................................................................................56
High-fidelity ....................................................................................................................................................56
Relief Devices .................................................................................................................................... 57
Low-fidelity .....................................................................................................................................................57
High-fidelity ....................................................................................................................................................58
Licensing Considerations for High‐fidelity Modeling.................................................................... 58
Chapter 7 – Building and Using a Dynamic Simulation ................................................................. 59
What do we mean by dynamics? ....................................................................................................... 59
Licensing Considerations .................................................................................................................... 59
Additional Input for Dynamic Operation......................................................................................... 60
Strategies for Dynamic Simulations ............................................................................................... 61
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Setting Up Dynamic Operation .......................................................................................................... 61
Switching to Dynamics .................................................................................................................... 61
Setting the Run Time ........................................................................................................................ 63
Selecting Streams and UnitOps ...................................................................................................... 65
Running a Dynamic Simulation ......................................................................................................... 66
Run from Initial State ....................................................................................................................... 66
Run from Current State.................................................................................................................... 66
Run One Step at a Time ................................................................................................................... 67
Other Dynamic Commands ................................................................................................................ 67
Reset to Initial State .......................................................................................................................... 67
Save As Initial State .......................................................................................................................... 68
Output from Dynamic Simulations ................................................................................................... 68
Reviewing the Flowsheet Specifications........................................................................................ 68
Plotting Dynamic Results ................................................................................................................ 69
Text‐based Dynamic Reports .......................................................................................................... 69
Chapter 8 – Output and Reports........................................................................................................... 71
Text Reports .......................................................................................................................................... 71
Report Setup ...................................................................................................................................... 71
Stream‐based Reports....................................................................................................................... 72
Stream Groups .................................................................................................................................................72
Stream Compositions.......................................................................................................................................74
Stream Properties.............................................................................................................................................75
Particle Size Distribution.................................................................................................................................76
Pseudocomponent Curves................................................................................................................................76
UnitOp‐based Reports...................................................................................................................... 76
UnitOp Groups ................................................................................................................................................76
Select UnitOps.................................................................................................................................................77
Spec Sheet........................................................................................................................................................77
Distillation .......................................................................................................................................................78
Flowsheet‐based Reports ................................................................................................................. 78
Topology..........................................................................................................................................................78
Thermodynamics .............................................................................................................................................78
Mass and Energy Balances ..............................................................................................................................79
Dynamics Reports............................................................................................................................. 79
Batch Results ...................................................................................................................................................79
Dynamics .........................................................................................................................................................79
Consolidated Report......................................................................................................................... 79
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Graphical Reports................................................................................................................................. 80
Thermophysical Data Graphs ......................................................................................................... 80
TPXY...............................................................................................................................................................80
Binary LLE ......................................................................................................................................................80
Binodal Plot .....................................................................................................................................................80
Binodal/Residue Curves ..................................................................................................................................80
Residue Curves ................................................................................................................................................80
Flowsheet‐based Graphs.................................................................................................................. 80
UnitOp‐based Plots .......................................................................................................................... 81
Tower Profiles .................................................................................................................................................81
Heat Curves .....................................................................................................................................................81
Plug Flow Reactor Profile ...............................................................................................................................81
Pipe Profile ......................................................................................................................................................81
Controller Convergence...................................................................................................................................81
Dynamic Plots ................................................................................................................................... 81
User‐specified File ............................................................................................................................ 81
Printing CHEMCAD Reports ............................................................................................................. 82
Process Flow Diagrams ....................................................................................................................... 82
Flowsheet Databoxes........................................................................................................................ 82
Stream Boxes...................................................................................................................................................82
UnitOp Boxes ..................................................................................................................................................83
TP Boxes .........................................................................................................................................................83
Excel Range Boxes ..........................................................................................................................................84
Using the Layers Feature for Selective Viewing and Printing ................................................... 85
Scenarios for Using Layers..............................................................................................................................85
Creating a New layer .......................................................................................................................................86
Assigning Objects to a Layer...........................................................................................................................87
Hiding and Viewing Layers.............................................................................................................................88
Removing an Object from a Layer ..................................................................................................................88
Deleting an Entire Layer..................................................................................................................................88
Printing a Process Flow Diagram ................................................................................................... 88
Chapter 9 – Customizing CHEMCAD ................................................................................................ 91
Flowsheet Templates ........................................................................................................................... 91
Creating a Template ......................................................................................................................... 92
Viewing a Template’s Properties.................................................................................................... 92
Applying a Template........................................................................................................................ 92
Renaming or Deleting a Template.................................................................................................. 92
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Creating Custom Components ........................................................................................................... 93
Adding a Single Component........................................................................................................... 93
Creating the Component ..................................................................................................................................93
Regressing Data into the Component ..............................................................................................................95
Pseudocomponent Range ................................................................................................................ 96
Importing a Neutral File .................................................................................................................. 97
Creating a Custom Symbol ................................................................................................................. 98
Customized Costing Calculations.................................................................................................... 100
Creating Custom UnitOps ................................................................................................................ 100
Creating a Custom UnitOp Dialog Box ....................................................................................... 101
Customizing Thermodynamics ........................................................................................................ 102
Creating a Custom K‐value or Enthalpy Model......................................................................... 102
Creating a Custom Mixing Rule ................................................................................................... 104
Visual Basic Applications (VBA)...................................................................................................... 104
Defining a Reaction, Mixing Rule, or UnitOp ............................................................................ 104
Using a VBA‐defined Reaction ..................................................................................................... 105
Using a VBA‐defined Mixing Rule............................................................................................... 106
Using a VBA‐defined UnitOp ....................................................................................................... 106
Chapter 10 – Data Interfaces ............................................................................................................... 107
Excel Data Mapping........................................................................................................................... 107
Creating an Excel Data Map.......................................................................................................... 108
Data Map Execution Rules ............................................................................................................ 111
Creating Excel UnitOps ..................................................................................................................... 113
Specification Sheets ............................................................................................................................ 113
Using CHEMCAD as an OPC Server .............................................................................................. 114
OPC Applications ........................................................................................................................... 114
OPC Compliance............................................................................................................................. 114
Enabling CHEMCAD as an OPC Server ..................................................................................... 115
Reading and Writing Values to CHEMCAD Using OPC ......................................................... 115
OPC Server Operations.................................................................................................................. 115
CHEMCAD OPC Namespace ....................................................................................................... 116
COM Interfaces ................................................................................................................................... 117
Connecting Excel and CHEMCAD: A Simple COM Interface ................................................. 117
Using the VBClient Example ........................................................................................................................118
A Peek under the Hood..................................................................................................................................118
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Chapter 11 – CHEMCAD Tutorials ................................................................................................... 121

CC‐STEADY STATE Tutorial ........................................................................................................... 122
Overview.......................................................................................................................................... 122
Starting a New Simulation ............................................................................................................ 123
Selecting Engineering Units .......................................................................................................... 123
Drawing the Flowsheet .................................................................................................................. 123
Placing UnitOps.............................................................................................................................................123
Drawing Streams ...........................................................................................................................................126
Selecting Components.................................................................................................................... 126
Selecting Thermodynamic Options.............................................................................................. 128
Defining the Feed Streams............................................................................................................. 130
Enter UnitOp Parameters .............................................................................................................. 132
First Heat Exchanger .....................................................................................................................................132
Second Heat Exchanger.................................................................................................................................133
Flash Drum ....................................................................................................................................................133
Valve..............................................................................................................................................................133
Stabilizer Tower ............................................................................................................................................134
Run the Simulation ......................................................................................................................... 134
Review the Results and Print as Needed..................................................................................... 134
Checking the Cricondentherm Dewpoint.......................................................................................................134
Checking the Bottoms Stream Purity.............................................................................................................137
Re-running the Simulation.............................................................................................................................138
Producing a Text Report................................................................................................................................139
Generating a Process Flow Diagram..............................................................................................................140
CC‐THERM Tutorial .......................................................................................................................... 144
Overview of the Heat Exchanger Sizing Process ....................................................................... 145
Identify the Tube‐side Stream....................................................................................................... 145
Generate the Heat Curve ............................................................................................................... 146
Define General Specifications ....................................................................................................... 147
Set Tube Specifications................................................................................................................... 148
Set Shell Specifications ................................................................................................................... 148
Set Baffle Specifications.................................................................................................................. 149
Baffle Spacing ...............................................................................................................................................149
Baffle Cut Percent .........................................................................................................................................149
Set Nozzle Specifications ............................................................................................................... 149
Set Clearance Specifications .......................................................................................................... 150
Set Material Specifications............................................................................................................. 151
Set Miscellaneous Specifications................................................................................................... 151
Run Sizing Calculations ................................................................................................................. 151
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Review Results and Create Plots .................................................................................................. 152

CC‐BATCH Tutorial .......................................................................................................................... 154
Description of the Problem............................................................................................................ 154
Overview of the Batch Distillation Process ................................................................................. 155
Creating a New Simulation ........................................................................................................... 156
Selecting Engineering Units .......................................................................................................... 156
Drawing the Flowsheet .................................................................................................................. 156
Placing UnitOps.............................................................................................................................................156
Drawing Streams ...........................................................................................................................................157
Selecting Components.................................................................................................................... 158
Selecting Thermodynamic Options.............................................................................................. 158
Specifying Pot Charge.................................................................................................................... 160
Specifying the Distillation Column .............................................................................................. 162
Defining the Operating Steps........................................................................................................ 163
Operating Step 1 ............................................................................................................................................163
Operating Step 2 ............................................................................................................................................164
Operating Step 3 ............................................................................................................................................164
Operating Step 4 ............................................................................................................................................165
Operating Step 5 ............................................................................................................................................165
The Run Time Information Dialog Box.........................................................................................................165
Running the Simulation ................................................................................................................. 166
Reviewing and Printing Results ................................................................................................... 167
Plotting the Results ........................................................................................................................................167
Generating Text Reports................................................................................................................................168
Generating a Full Report ...............................................................................................................................168
Piping Tutorial .................................................................................................................................... 170
Control Valve Sizing Example ...................................................................................................... 170
Problem Statement.........................................................................................................................................170
Rating Case....................................................................................................................................................171
Flow Rate as a Function of Pressure..............................................................................................................173
Simple Flow Example..................................................................................................................... 176
Creating the Simulation .................................................................................................................................176
Using Controllers to Simplify the Problem ...................................................................................................178
Calculating NPSHA.......................................................................................................................................179
Branched Flow Example ................................................................................................................ 180
Creating the Simulation .................................................................................................................................180
Running the Simulation .................................................................................................................................182
Selecting a Pump ...........................................................................................................................................183
CHEMCAD Version 6 User Guide ix
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x CHEMCAD Version 6 User Guide
Chapter 1
Introduction to CHEMCAD
Welcome to CHEMCAD Version 6.0, a powerful and effective software tool for
chemical process simulation. Whether you’re a new or experienced CHEMCAD user,
you’ll appreciate the program’s user‐friendly, feature‐rich interface. Creating
flowsheets and running simulations is fast and easy with CHEMCAD, and the
program is highly customizable to fit your needs and the way you work.
This manual will help you get up and running with CHEMCAD, from
installation and licensing to tutorials that walk you through real‐world examples.
Overview of CHEMCAD and Its Uses

Today’s chemical processing industry (CPI) faces numerous challenges: rising fuel
and feedstock costs, reduced engineering staff, shorter product life cycles, increased
global competition, and increased regulation. These challenges require that CPI
companies seek out and use the best tools to increase productivity and improve
engineering decisions.
CHEMCAD is a powerful and flexible chemical process simulation environment,
built around three key values of innovation, integration, and open architecture.
These values create important advantages for CHEMCAD users:
• The latest chemical engineering techniques at your fingertips
• All functionality united in a single software environment
• Seamless connection to the chemical engineering computing environment, with
links to tools such as MS Excel and Word and interfaces such as COM, DCOM,
OPC, CAPE‐OPEN, and XML
CHEMCAD Version 6 User Guide 1
CHEMCAD combines a state‐of‐the‐art graphical user interface (GUI), an
extensive chemical component database, a large library of thermodynamic data, and
a library of the most common unit operations to give users the ability to provide
significant and measurable returns on their investment. In addition, the program is
customizable to allow custom chemicals, thermodynamics, unit operations,
calculations, and reporting—all ingredients for a powerful user experience.
CHEMCAD is capable of modeling continuous, batch, and semi‐batch processes,
and it can simulate both steady‐state and dynamic systems. This program is used
extensively around the world for the design, operation, and maintenance of chemical
processes in a wide variety of industries, including oil and gas exploration,
production, and refining; gas processing; commodity and specialty chemicals;
pharmaceuticals; biofuels; and process equipment manufacturing.
Within all of these industries, chemical engineers work every day with
CHEMCAD to address a variety of challenges:
• Initial design of new processes
• Optimization or de‐bottlenecking of existing processes
• Performance monitoring of processes
• Design and rating of process equipment such as vessels, columns, heat
exchangers, piping, valves, and instrumentation
• Evaluation of safety relief devices
• Heat exchanger sizing
• Pressure and flow balancing of complex piping networks
• Reconciliation of plant data
• Economic comparisons of process alternatives
• Advanced process control (APC), including model predictive control (MPC),
real‐time optimization (RTO), and operator training systems (OTS)
• Scale‐up of processes from lab‐scale to pilot‐scale, and from pilot‐scale to full‐
scale
• Binary interaction parameter (BIP) regression from process or lab data
• Batch reaction rate regression from process or lab data
No matter how complex your process, CHEMCAD is capable of delivering the
results you need to stay competitive in an increasingly fast and fluid global market.
Easy to learn and highly customizable, CHEMCAD can put future‐proof solutions
within easy reach of your engineering staff.
2 CHEMCAD Version 6 User Guide
CHEMCAD Products and Features

The CHEMCAD suite consists of several modules that serve specific purposes.
Depending on your particular needs, you may have purchased some or all of these
modules. The following are brief descriptions of the various CHEMCAD modules
and their most common uses.
CC-STEADY STATE
The main CHEMCAD product, known as CC‐STEADY STATE, enables you to
design new processes, rate existing processes, and optimize processes in steady state.
CC-DYNAMICS
The module known as CC‐DYNAMICS makes it possible to design and rate existing
processes using a dynamic simulation. This module is fully integrated with
CHEMCAD to make switching between steady state and dynamics easy and
intuitive. Using CC‐DYNAMICS, you can easily simulate everything from simple
vessel accumulation to complex control systems on columns. This module also
provides tools for simulation of continuous stirred‐tank reactors (CSTRs), including
complex reaction rate and pressure calculation.
CC-BATCH
The CC‐BATCH product enables you to design, rate, or optimize a batch distillation
column. CC‐BATCH includes a scheduling interface to allow an “operation step”
approach to simulation of batch columns.
CC-THERM
The CC‐THERM product lets you design a single heat exchanger, or vet a vendor’s
heat exchanger design. It is also ideal for customers who want to rate existing
exchangers in new service, or to perform calculations on hypothetical situations. CC‐
THERM can simulate shell‐and‐tube, air‐cooled, plate‐and‐frame, and double‐pipe
exchangers. Full integration with CHEMCAD makes it possible to calculate exit
conditions from exchanger geometry for high‐fidelity simulations.
CC-SAFETY NET
The CC‐SAFETY NET product provides the capability to design or rate piping
networks and safety relief devices and systems, in both steady‐state and dynamic
systems. The steady‐state features of CC‐SAFETY NET are included with CC‐
STEADY STATE. This product enables users to make simultaneous flow‐ and
pressure‐balanced simulations—even in reverse‐flow situations—for single‐ or
multi‐phase flow.
CC-FLASH
The CC‐FLASH module provides physical property and phase equilibrium data, as
well as property prediction and regression. CC‐FLASH is a subset of CC‐STEADY
STATE, and is meant for customers who do not need full flowsheet simulation tools.
CHEMCAD Features by Module

The following matrix lists the features associated with each component of the
CHEMCAD suite. For a more detailed explanation, or to inquire about a particular
component or feature, please contact Chemstations or your CHEMCAD distributor
(see complete contact information at www.chemstations.net/contact.htm).
CC-STEADY STATE
CC-SAFETY NET
CC-DYNAMICS
CC-THERM
CC-BATCH
CC-FLASH
VB/COM/OPC/Data Map 9 9
Sensitivity/optimization 9 9 9
Sizing (line/valve/orifice/vessel) 9 9 9
Run steady state 9 9 9 9 9
Run dynamics 9 9
Run recycles 9 9 9
Costing 9 9 9
Reconciliation 9 9
Sizing columns 9 9 9
Sizing heat exchangers 9
Economics 9 9
Reports (incl. Excel) 9 9 9 9 9 9
DIERS 9 9 9
CO2 solid 9 9 9 9
Hydrates 9 9 9 9
Depress 9 9 9 9
TOC/COD 9 9 9 9
Pure regression 9 9 9 9 9 9
BIP regression 9 9 9 9 9 9
Electrolyte regression 9 9 9 9 9 9
Rate regression 9 9
Units calculator 9 9 9 9 9 9
Execute parser 9 9
Environmental report 9 9 9 9 9 9
Simple calculator 9 9 9 9 9 9
Spec sheet 9 9 9 9 9
UnitOps by Module
The availability of certain unit operations, or UnitOps, in CHEMCAD simulations is
a function of which modules you have licensed. The following matrix lists all
available UnitOps and the CHEMCAD modules associated with them.
CC-STEADY STATE
CC-SAFETY NET
CC-DYNAMICS
CC-THERM
CC-BATCH
CC-FLASH
Baghouse filter 9 9
Batch column 9
Batch reactor 9
Calculator 9 9
Centrifuge 9 9
Component separator 9 9
Compressor 9 9 9
Control valve 9 9 9
Controller 9 9 9
Crusher/grinder 9 9
Crystallizer 9 9
Cyclone 9 9
Divider 9 9 9 9
Dynamic vessel 9 9
Electrostatic precipitator 9 9
Equilibrium reactor 9 9
Excel unit 9 9
Expander 9 9 9
Fired heater 9 9
Flash 9 9 9 9
Gibbs reactor 9 9
Heat exchanger 9 9 9 9
Hydrocyclone 9 9
Kinetic reactor 9 9
Liquid/liquid extractor 9 9
LLV flash* 9 9
LNGH exchanger 9 9
CC-STEADY STATE
CC-SAFETY NET
CC-DYNAMICS
CC-THERM
CC-BATCH
CC-FLASH
Loop 9 9
Mixer 9 9 9 9
Node 9 9 9
Phase generator* 9 9
PID controller 9 9 9
Pipe simulator 9 9 9
Polymer reactor
Pump 9 9 9
Ramp controller 9 9 9
Recorder* 9
Run subflowsheet META unit 9 9
SCDS distillation column 9 9
Screen 9 9
Sedimentator 9 9
Shortcut column 9 9
Solids dryer 9 9
Solids washer 9 9
Stoichiometric reactor 9 9
Stream reference 9 9
Tank 9
Time delay 9 9
Time switch 9 9
Tower distillation column 9 9
Tower plus distillation column 9 9
User-added module 9 9
Vacuum filter 9 9
Valve 9 9 9
Venturi scrubber 9 9
Vessel* 9 9
* These UnitOps will be phased out eventually.
Chapter 2
Getting Started with CHEMCAD
Now that you have CHEMCAD in hand, you probably want to get started right
away. Let’s get directly to the point, with step‐by‐step instructions for installing and
licensing the program.
Installing the Software

Start by ensuring that your PC meets the minimum system requirements, as listed
below. It’s also a good idea to find out before you begin whether your copy of
CHEMCAD will rely on a network license; if it will, make sure to ask your network
administrator for all the
information that you’ll need
CHEMCAD System Requirements when installation is complete and
Processor speed: 500 MHz or higher it’s time to set up licensing.
Operating system: Windows 2000, XP, or Vista
Once you’ve established that
RAM: 256 MB
your computer is ready for
Video card: 128 MB or higher video memory
installation, insert the
Display resolution: 1024 x 768 or higher CHEMCAD 6.0 disc into an
Hard disk space: 500 MB (750 MB during available CD media drive and
installation)
watch for the CHEMCAD splash
Productivity software: Some features require
Microsoft Office®
screen to appear.

Note: If you insert the disc and close the CD media drive door, but nothing happens
within one minute, then your system is not configured to launch the CD content
automatically. To launch the installation program manually, go to My Computer,
double‐click the icon for your computer’s CD media drive, and then double‐click the
file called Setup.exe.
Click Install CHEMCAD to launch the InstallShield Wizard. InstallShield
inspects your computer for software components that CHEMCAD will need, and
prompts you to install any needed components with a screen similar to Figure 2‐01.

Figure 2-01: InstallShield Wizard screen listing software components to be installed
Click Install to continue. Follow the prompts on all other screens until you see
the CHEMCAD Suite – InstallShield Wizard screen, shown in Figure 2‐02.
Note: Depending on how many software components InstallShield identifies, there
may be quite a few screens, and the procedure could take several minutes. Once
these components are installed on your computer, however, you will not need to
reinstall them with future CHEMCAD updates.

Figure 2-02: The CHEMCAD Suite – InstallShield Wizard screen
Click Next to begin the installation process. The License Agreement screen
appears, listing the CHEMCAD standard license. Once you’ve read and understood
the terms of the license, you’ll need to click the I accept the terms of the license
agreement button before you can click Next again to proceed. Note that you have the
option to print a copy of the license agreement from this screen.

Figure 2-03: The Standard License screen
The Destination Folder screen appears next, displaying the name of the folder
into which the CHEMCAD files will be installed by default. Normally, this
destination is C:\Program Files\Chemstations\CHEMCAD, and it is recommended
that you use this location unless you have a specific need to install the program
elsewhere. Click the Change button if you want to change the file destination, or
click Next to accept the suggested destination and proceed.
The Setup Type screen now appears, offering a choice between complete and
custom installation. Each type of installation is described on the screen. Either accept
the default setting of Complete or click Custom to select specific components to
install, then click Next to proceed.
The Ready to Install the Program screen now appears. Note that on this screen,
and in fact on any screen in the installation process, you can click Back to return to a
previous screen and verify or change your installation settings. If you are satisfied
with your settings as they are, click Next to start the installation.
The Installing CHEMCAD Suite screen appears, showing the progress of your
installation with a green status bar.

Figure 2-04: Status bar showing the progress of CHEMCAD installation
When installation is complete, you’ll see one final screen, which states that the
InstallShield Wizard has completed installation of the CHEMCAD Suite. Click
Finish to close the installation program and open CHEMCAD 6.
Licensing CHEMCAD
Before you can use CHEMCAD, you’ll need to set up a licensing scheme of some
type. Depending on your particular licensing agreement, you will use one of several
types of licenses to run CHEMCAD.
Types of CHEMCAD Licenses

The various types of CHEMCAD licenses are designed to fit different users’
software, hardware, and networking needs. Most licenses require the use of a
hardware device, commonly known as a dongle, to run the program.
The dongle simply plugs into either a USB port or a parallel port on the
computer, and must be plugged in any time the program runs. If you work on a
network with other CHEMCAD users, your license may rely on a dongle plugged
into a network server elsewhere in your organization, rather than one plugged
directly into your computer.
You or your organization will use one of four types of dongles:
• SuperPro single‐user dongle (parallel or USB connection)
• SuperPro Net dongle (parallel or USB connection)
• Sentinel Scribe single‐user dongle (parallel connection)
• NetSentinel network dongle (parallel connection)
In some instances, software licensing is accomplished without the use of a
hardware device:
• License Manager software, which runs over a local‐ or wide‐access
network
• System Authorization, a method that authorizes a single‐user machine for
a limited time (used for software evaluation)
License Settings
To run CHEMCAD for the first time, make sure that your dongle (if applicable) is
plugged in properly, and then start the program. From the Windows Start menu,
select All Programs > Chemstations > CHEMCAD.
The program opens, displaying a CHEMCAD splash screen. After a few
moments, that screen is replaced by the License Settings screen.

Figure 2-05: The License Settings screen with default settings
The checked boxes on the left side of this screen indicate the types of licensing
hardware and software that CHEMCAD will search for when you click OK. Note
that network licensing methods are not checked; this saves time for many users,
because searching for a network dongle can be time‐consuming.
Note: If you are using one of the network licensing methods (NetSentinel, SuperPro
Net, or License Manager), you’ll need to check the appropriate box before clicking
OK. You can also click the other boxes to clear their check marks and speed up
CHEMCAD’s search for your license.
On the right side of the screen, the Network device product checkout area lets
network users choose whether or not to request licenses for specific CHEMCAD
modules. For each listed product, you can elect to secure a license Always, As
needed, or Never.
The default setting for all of these slider controls is As needed, which secures a
license only when you begin to use a specific CHEMCAD feature controlled by a
certain product. This setting is ideal in most situations, as it leaves unneeded licenses
available for other users. To change any module’s checkout setting, simply click to
the left or right of the current setting to move the slider.
In most cases, you won’t need to make any changes on the License Settings
screen, although you may want to clear the Always show this screen at startup check
box, to avoid seeing this screen each time you start CHEMCAD.
Note: If you’ve turned off this check box, you can still open the License Settings
dialog box at any time. Either select Tools > Options > License Settings from within
an open simulation, or select License > License Settings with no simulation open.
When you’ve made any changes needed, click OK. Once CHEMCAD has located
your valid license, you’ll see the Licenses in Use screen, which lists all licensed
products along with the type of license device or software validating each product.
Click OK to close this screen and access the main CHEMCAD window.
Updating a License
CHEMCAD dongles require re‐programming on a regular basis, either once a year
or more often depending on your licensing agreement. This is a security measure to
reduce the likelihood that your dongle will be stolen and misused.
The dongle that you use is programmed to work only through the licensed time
period, and when that time has elapsed, the dongle must be updated before you can
continue using CHEMCAD.
Updating a dongle is a relatively simple procedure. Before your license
expiration, you or your software administrator should receive an e‐mail from
Chemstations, with what’s known as a configuration file included as an attachment.
You should save this file to your Windows desktop as soon as you receive it.
Note: If you’ve updated the same dongle in the past, the new configuration file
should have the exact same file name as the previous one. If, while saving the file to
your desktop, you see a Windows message about an existing file with the same
name, you should overwrite the old file (which in any case cannot be used again),
replacing it with the new one.
It’s important to ensure that your configuration file matches your dongle. The
configuration file should be a .DNG file whose name includes a four‐ or five‐digit
code; this code must match the number stamped onto your dongle. If the numbers
don’t match, contact your software administrator or Chemstations support to resolve
the issue.
The update e‐mail also specifies the date on which you’ll need to update your
dongle. Before that date arrives, follow this procedure to perform the update:
1. Start the CHEMCAD program; you should see the License Settings dialog
box appear automatically. If necessary, you can open this dialog box using
either Tools > Options > License Settings (with a simulation open) or
License > License Settings (with no simulation open).
2. Within the License Settings dialog box, click the tab with the same name as
the type of hardware dongle that you use: Sentinel Scribe, NetSentinel,
SuperPro, or SuperPro Net.
3. On the tab you’ve selected, find the Re‐program button—Re‐program
SentinelSuperPro, for example. Click this button to begin the re‐
programming procedure.

Figure 2-06: Re-programming a SuperPro dongle from the License Settings dialog box
4. When the Browse for Folder dialog box appears, navigate to the location
where you saved the .DNG configuration file. Normally, this is the Windows
desktop; if you saved your configuration file there, click Desktop to tell
CHEMCAD where to look for the file, then click OK.

Figure 2-07: Selecting the location where the configuration file resides
5. CHEMCAD re‐programs the dongle and then displays a “success” pop‐up
window.

Figure 2-08: Successful re-programming of a CHEMCAD dongle
6. Click OK to close the pop‐up window. If the Licenses in Use screen appears,
click OK to close it.
You should now be able to open CHEMCAD and proceed normally.
Getting Help with CHEMCAD

If you find that you have questions that are not addressed in this User Guide, you
can turn to several resources for CHEMCAD help.
Online Help
At any time while running CHEMCAD in an active window, you can press the [F1]
key to bring up the CHEMCAD Help screen that’s most appropriate to the task you
are currently performing or the dialog box currently displayed.
In some situations, pressing [F1] will bring up the main CHEMCAD 6 Help
window instead of a particular help screen. From there, you can click the Contents,
Index, or Search tab in the upper left corner of the CHEMCAD 6 Help window, and
use these tools to find the information you need.
You can also go directly to the main CHEMCAD 6 Help window by selecting
Help > Help Topics from the CHEMCAD main menu. Regardless of how you open
CHEMCAD Help, it always opens in a separate window that does not interfere with
the operation of the CHEMCAD program.
CHEMCAD Coach
The CHEMCAD Coach pane is a tool that you can open within CHEMCAD to view
concise instructions for common procedures. To see a list of available topics, select
Help > CHEMCAD Coach. Then click on any link in the CHEMCAD Coach window
to view the instructions for a specific task.
Procedure Demos
Animated demonstrations of common tasks are available to help you get started
using the CHEMCAD program. Topics covered include the various steps involved in
creating a basic simulation; procedures for simulations involving batch reactors, heat
exchanger sizing, and piping; control valve rating and sizing; creating an Excel Data
Map; and updating a licensing dongle.
The demo files are installed along with CHEMCAD. To access these demos,
select Start > All Programs > Chemstations > Demos, and then browse the list of
available topics. Click the button for the demo you’d like to view and then click Play
to run the demo.
The Chemstations Web Site

To find the most recent updates of the CHEMCAD software, manuals, and various
training tools, go to www.chemstations.net. There you’ll find the following items
available for download:
• The latest release of CHEMCAD
• A list of updates implemented in the most recent release
• The latest version of CHEMCAD 6.0 Help
• CHEMCAD 6.0 Interactive Demos
• Programming guides for interfacing with CHEMCAD
Contacting Chemstations Technical Support

If you are unable to solve a problem or find the answer to a question using this
manual or the other tools listed here, you can contact Chemstations’ technical
support staff for assistance.
Our technical support engineers Phone: 713.978.7700
are available via e‐mail, or by phone Toll-free (U.S. and Canada): 800.243.6223
Monday through Friday, 7:00 AM FAX: 713.978.7727
through 6:00 PM Central Standard E-mail: [email protected]
Time.
Outside of the United States, please see www.chemstations.com for regional
contact information.
Chapter 3
The CHEMCAD Interface
With the release of Version 6.0, the CHEMCAD interface has undergone quite a
transformation. For this reason, even long‐time users of CHEMCAD will benefit
from a review of the program’s screen layout and the location of important features.
This chapter takes you on a tour of the CHEMCAD screen, including the menus
and toolbars, the main areas of the screen, and the flowsheet drawing tools. It also
shows you some ways that you can customize the screen layout so that it best suits
your own way of working.
The CHEMCAD Window

When you launch the CHEMCAD program for the first time, you’ll see a screen with
a large white area in the middle and various panes, or specialized areas, at the edges
of the screen.
Workspace
CHEMCAD
Explorer pane
Palette pane
Messages pane
The Workspace
The area in the middle of the screen is known as the workspace. This is the main focus
of the CHEMCAD window, the place where you’ll build and edit flowsheets, view
graphs, and run and tweak process simulations.
When you first launch CHEMCAD, the workspace is solid white. When you start
to build a flowsheet or open an existing simulation, the flowsheet displays in the
workspace.
The workspace uses tabs to enable you to switch between your open simulation
and any open Excel Data Maps and/or data plots. At the bottom of the workspace
area, you’ll see one or more tabs whenever a simulation is open. Each tab includes a
button marked with an X; to close any tab, first click the tab and then click the X
button.

Figure 3-01: The bottom of the workspace area, showing several tabs and their X buttons
Note that any time you’ve closed a simulation and haven’t yet opened another
one, the workspace displays as a blank gray space.
The CHEMCAD Explorer Pane

Along the left edge of the CHEMCAD window, you’ll see an area with a title bar at
the top that reads CHEMCAD Explorer. At the bottom of the CHEMCAD Explorer
pane are three tabs called Recent Files, Simulation, and Visual Basic. To view the
contents of a tab, simply click its name.

Figure 3-02: CHEMCAD Explorer tabs
The CHEMCAD Explorer tabs are presented in what’s known as a tree format,
with items organized into a multi‐level hierarchy. The default view shows only top‐
level items, but you can expand each item to view second‐level items, third‐level
items, and so forth.
At the left of each top‐level item is a small box with a plus sign. To expand an
item, click the plus sign. Two things happen simultaneously when you click: the tree
expands to show that item’s contents, and the plus sign becomes a minus sign. You
can hide (or collapse) the lower‐level items again by clicking the minus sign, which
then turns back into a plus sign. Figure 3‐03 shows an example of a CHEMCAD
Explorer item in collapsed and expanded view.

Figure 3-03: Clicking the plus sign to expand an item (left); the resulting view (right)
Expanding and collapsing items in the CHEMCAD Explorer tabs is one way that
you can make the best use of your screen space when working in CHEMCAD.
The Recent Files Tab

The Recent Files tab is selected by default when you first launch CHEMCAD. This
tab lists all of the simulation files that you have opened lately, starting with the most
recent. When you first install CHEMCAD, the list is empty, but with every
simulation that you open—new files or existing ones such as built‐in examples—the
list will grow, providing convenient access to files that you use frequently.
To open a simulation from the Recent Files list, simply double‐click on the file
name in the list.
The Simulation Tab

The Simulation tab displays by default any time a simulation is open. It provides a
series of shortcuts to common commands and settings, including:
• Components: Includes one‐click access to component, electrolyte, and solids
selection, as well as distillation curves
• Thermodynamics: Provides quick access to thermodynamic settings and
transport properties
• Flowsheet: Allows quick editing of UnitOp and stream data
• Data Maps: Enables you to create or set execution rules for a Data Map
without using the menu
• Groups: Provides an easy way to categorize UnitOps, streams, and
components
• Layers: Allows selected parts of the flowsheet to be displayed or hidden for
viewing and printing
• Templates: Stores and organizes stream and UnitOp specifications that you
can “clone” for re‐use
Expand any of these items to see and use specific features, which are described in
further detail in the appropriate chapters of this user guide.
The Visual Basic Tab

If you use Visual Basic to customize CHEMCAD, this tab provides quick and easy
access to your Visual Basic code. You can expand the Reactions, Properties, or
UnitOps item to view available subroutines for that category. Clicking the name of a
subroutine opens a Visual Basic editor in a separate window.
The Palette Pane

Along the right side of the CHEMCAD window is a pane titled Palette, which is a
repository for the various unit operation icons and other tools needed to draw
flowsheets.
Selecting a Palette
These UnitOp icons and tools are grouped into palettes according to function or
equipment type. The default palette is called All UnitOps, and it includes every
available UnitOp icon and drawing tool. To select a different palette, simply click its
title bar. The selected palette expands in place, as shown in Figure 3‐04.

Figure 3-04: The expanded Piping and Flow palette
Customizing Palettes
At the top of the Palette pane is a field called Search for UnitOp(s). Type a search
term here and then click Go! to locate all of the UnitOp icons associated with that
term. The results from the search appear in a new palette at the bottom of the Palette
pane. Figure 3‐05 shows the search results for the word vessel.

Figure 3-05: Search results showing all vessel UnitOps
Performing a UnitOp search creates what is known as a user‐added palette. This
type of palette is designated with a special icon at the left end of the palette heading.
The palette containing your search results remains available until you close
CHEMCAD. You can make your user‐added palette available permanently by right‐
clicking the new palette’s title bar and selecting Save.

Figure 3-06: Saving search results for future use
You can do the following with user‐added palettes:
• Rename any user‐added palette by right‐clicking its title bar and selecting
Rename. In the resulting dialog box, type the name you want and then click
OK.
• Delete a user‐added palette at any time by right‐clicking and selecting
Remove.
• Add individual UnitOps or tools to an existing user‐added palette. Simply
right‐click the icon for the item you want to add, select Insert into Palette,
and then click the name of the user‐added palette.
• Remove an item from a user‐added palette by right‐clicking the icon and
selecting Remove from Palette.
• Create a user‐added palette without a search. Right‐click the first icon that
you’d like to include on a new palette and select Insert into Palette > New
Palette. Type a name in the resulting dialog box and click OK. Then add as
many other icons as you’d like using the method described just above.
You cannot change the name or icon selection for a built‐in palette, as you can
with a user‐added palette. You can, however, make a copy of a built‐in palette,
rename the copy, and then add and delete icons until the palette has just what you
want.
To copy any palette (whether built‐in or user‐added), simply right‐click the
palette heading and select Save Copy As. Type a name for the new palette and click
OK.
The Messages Pane

The Messages pane is located at the bottom edge of the CHEMCAD workspace. At
the bottom of this pane are three tabs: Errors and Warnings, Run Trace, and Notes.
The Errors and Warnings Tab

This tab displays a running list of error and warning messages that have been
generated while the current simulation file has been open. The oldest messages
display at the top of the list. When there are too many cumulative messages to
display in the pane, the most recent messages display and the older messages scroll
off the top edge of the pane. If needed, you can use the vertical scroll bar on the right
side of the pane to scroll up and review earlier messages.
The Run Trace Tab

This tab displays diagnostic messages from each UnitOp each time a simulation is
run. This information is helpful in troubleshooting a simulation that is not working
properly.
The text on the Run Trace tab is not saved with the simulation, but refreshes with
each run and clears when you close the simulation.
The Notes Tab

This tab provides a handy place to store additional information, in text form, about
the simulation. You can use it to list any details about the simulation, such as its
origin and any assumptions that are being made.
Any notes that you add or change are saved as part of the simulation. To delete
text from a note, simply click and drag to select the text and then press [DELETE] on
your keyboard.
The Main Menu

The main CHEMCAD menu is located just under the title bar at the top of the
program window. Some items on the main menu are common to nearly all Windows
programs—namely File, Edit, Format, and Help—while other menu items such as
Thermophysical and Sizing are more specific to chemical process simulation.
To use a menu command, click the relevant main menu item and then click the
command in the drop‐down list that appears.
To execute menu commands without using the mouse, you can hold down the
[ALT] key on your keyboard as you press the letter key that corresponds to the
underlined letter in the desired menu item, for example [ALT‐F] for the File menu.
You can then use the up and down arrow keys to select an item on the menu and
press [ENTER] to execute the selected command.
The Toolbar
The CHEMCAD toolbar provides buttons that are common to most Windows
applications, such as New, Open, Save, and Print, along with buttons that are
specific to chemical process simulation.
To discover the use of a particular button, simply point your mouse cursor at the
button and watch for the tooltip to appear, as shown in Figure 3‐07.

Figure 3-07: Viewing a button’s tooltip
Toolbar buttons provide quick, one‐click access to frequently‐used commands
that are also available via the CHEMCAD menus.
Customizing the CHEMCAD Screen

When you first install CHEMCAD, the screen is laid out with the CHEMCAD
Explorer pane on the left, the Palette pane on the right, and the Messages pane below
the workspace.
If having all of these items visible leaves you less workspace than you would
prefer, or if the location of one or more panes is less than optimal for the way that
you work, you can hide or move panes to customize your CHEMCAD screen.
Viewing and Hiding Screen Elements

You can view or hide any of the CHEMCAD screen’s panes, as well as groups of
toolbar buttons, to make optimal use of your screen space.
To toggle a pane on or off, select the View menu and then choose CHEMCAD
Explorer, Palette, or Messages. Items with a check mark are currently displayed,
while items with no check mark are currently hidden. You can also choose to view or
hide the status bar at the bottom of the CHEMCAD window.
To selectively view or hide groups of toolbar buttons, select View > Toolbars. In
the Toolbars dialog box, each group of buttons is listed under a descriptive name;
initially, all of these groups have check marks, indicating that they are currently
displayed. To hide any group of buttons, click to remove the check mark and then
click Close to return to the main CHEMCAD window.
Resizing and Moving Items

Now that you have determined which panes and toolbar button groups to display,
you can further customize your CHEMCAD window to determine exactly where
each of these items will appear.
Resizing a Pane
The simplest way to alter the appearance of a pane is to resize it. You can make the
CHEMCAD Explorer and Palette panes wider or narrower, or make the Messages
pane shorter or taller, by moving the inside edge, or wall, of the pane toward or
away from the edge of the main window.
To resize a pane, start by positioning your mouse cursor at the inside wall of the
pane—that is, the right edge of the CHEMCAD Explorer pane, the left edge of the
Palette pane, or the top edge of the Messages pane. When the cursor is in the correct
position for resizing, the normal pointer will be replaced with a two‐headed arrow
as shown in Figure 3‐08.

Figure 3-08: The two-headed arrow cursor used for resizing panes
When you see the two‐headed arrow, click and drag in the direction you want to
move the pane wall. A thick gray line shows a preview of the new pane size; when
you release the mouse button, the resized pane appears.
Moving a Pane
In addition to resizing, you can also move any of the panes in the CHEMCAD
window, either to a different edge of the screen or to the middle of the screen. You
can also move groups of buttons from their default positions on the toolbar.
Initially, all of the panes and button groups are docked, meaning that they are
“snapped into” an edge of the screen or the toolbar area. When you undock an item,
you can put it in the location of your choosing, away from the screen edge.
To undock a pane, click and drag the pane’s title bar, that is, the blue bar at the
top of the pane that shows the pane name. To undock a button group, you’ll need to
click and drag the row of four dots running along the left edge of the leftmost button
in the group.
Note: In the case of the Messages pane, the title bar runs along the left edge of the
pane, and the name is not visible when the pane is docked.
If you drag the pane or button group into the workspace area, you’ll see a gray
box representing the position the item will occupy when you release the mouse
button. If you don’t like the new position, you can click the item’s title bar and drag
it elsewhere, including its original position.
You can also dock a pane to a different edge of the screen, or move button
groups around within the toolbar area, instead of undocking these items.
Pinning and Unpinning Panes

In addition to moving and resizing the various panes, there’s another way that you
can customize your CHEMCAD screen: pinning and unpinning the CHEMCAD
Explorer and Palette panes.
These two panes can take up a fair amount of horizontal screen space, and
making them very narrow isn’t an ideal way to work. Pinning and unpinning
provide a way to view full‐width CHEMCAD Explorer and Palette panes when you
need these tools, while also freeing up space when you aren’t using them.
Whenever either of these panes is docked at an edge of the screen, it is in one of
two states:
• Pinned, meaning that the pane is always visible
• Unpinned, meaning that the pane is mostly hidden from view, and appears only
on demand
By default, all CHEMCAD panes are initially pinned in place. You can choose to
unpin a pane if you prefer to have some extra space on the screen. To unpin a pane,
find the tiny pushpin icon in the pane’s title bar, next to the X icon that enables you
to close the pane. If the pane is stationary, you’ll see that the pin is upright with its
point down.

Figure 3-09: The icon indicating a pinned, or stationary, pane
If you click the pin icon, the pane suddenly disappears from view—but it isn’t
gone. Instead, a small gray tab bearing the name of the palette appears at the edge of
the screen where the pane is docked. To see the pane reappear, you only have to roll
your mouse over that tab. When the pane appears, you’ll notice that the pushpin
icon is now pointed to the side. Use the tools on the CHEMCAD Explorer or Palette
normally; then, when you no longer need the pane, just move the mouse pointer
elsewhere. The pane will automatically hide itself until the next time you roll the
mouse over the tab.

Figure 3-10: An unpinned pane in use; note the sideways pin icon
To re‐pin an unpinned pane, point to the tab to make the pane appear and then
click the pin icon. The pin turns so that it is once again upright, and the pane is once
again a permanent fixture on the CHEMCAD screen.
Other Useful Interface Hints

The following are helpful items that can help to make your CHEMCAD experience
easier and more efficient.
Undo and Redo

As with most Windows‐based programs, CHEMCAD allows you to “back out” of
actions you have just taken while working with a file. You can use the Undo
command to negate the last change you made; simply select Edit > Undo, or use the
key combination [CTRL‐Z].
You can use the Undo command to retract up to the last 99 actions that you
performed since the last time you opened the current simulation file.
Visible Grid
You can turn on a workspace grid to use as a guide while creating your flowsheet.
Select View > Grid Visible to toggle this feature on or off.
Other grid options include View > Snap to Grid, which helps with alignment of
objects on the flowsheet, and View > Change Grid Size, which enables you to
customize the horizontal and vertical spacing of grid lines.
Adjusting Your View of the Workspace

The View > Zoom Options menu offers a whole series of options for moving and
resizing your view of the CHEMCAD workspace.
• Select In to view the workspace from closer in, or Out to view from farther away.
• Select either In at a Point or Out at a Point, and then click a point on the
workspace, to zoom in or out with that point as a focus.
• Select Zoom Rectangle, and then click and drag on the workspace, to designate a
specific area that you want to view.
• Select Zoom Percentage to choose a specific display size for the workspace.
• Select Zoom to Fit to view at the largest size that still permits all of the existing
flowsheet elements to remain in the visible workspace.
If your computer mouse is equipped with a scroll wheel between the left and
right mouse buttons, you can zoom in and out on the CHEMCAD workspace with a
touch of your finger. To zoom in, roll the wheel up—that is, push your fingertip
away, toward the top edge of the mouse. To zoom out, roll the wheel down toward
the bottom of your mouse, pulling your fingertip toward your palm.
Note: When you zoom in and out using the scroll wheel, the focal point for the zoom
is the location of the mouse pointer.
The CHEMCAD Coach Pane

The CHEMCAD Coach pane is not displayed by default, but you can access it at any
time by selecting Help > CHEMCAD Coach. The purpose of CHEMCAD Coach is to
provide concise instructions for common procedures. If you’ve learned how to
perform a common procedure in CHEMCAD but have forgotten the exact menu
command to use, CHEMCAD Coach can help jog your memory and put you on the
right track.
You can drag the CHEMCAD Coach window to any location on the screen,
simply by clicking and dragging the title bar at the top of the window.
If you have finished using the CHEMCAD Coach tool and want to close it, just
click the Close button (the red X) in the upper right corner of the CHEMCAD Coach
window. Note that if the main CHEMCAD window was maximized before you
opened the CHEMCAD Coach tool, you may need to maximize the CHEMCAD
window again to restore it to full‐screen size.
Chapter 4
Working with Simulation Files
All of the work that you do with CHEMCAD is stored in simulation files. With the
advent of CHEMCAD 6, each discrete simulation is packaged into a single file that is
portable and easy to handle. All the details of the simulation—from UnitOp
specifications to stream composition to thermodynamics—are included in this file.
This chapter describes the various ways that you can access and manage CHEMCAD
simulation files.
About CHEMCAD Simulation Files

Simulations created in CHEMCAD 6 use the file extension .CC6, which distinguishes
them from other files on your computer, including simulation files created using
earlier versions of CHEMCAD.
One of the most notable differences between .CC6 files and predecessors such as
.CCX files is their portability. A .CC6 simulation file is as easy to work with,
transport, and share as an MS Word document or an Excel spreadsheet. Whereas
CHEMCAD simulations once required extra steps before they could be e‐mailed or
moved, simulations created with CHEMCAD 6 can be handled as stand‐alone files.

Figure 4-01: Stand-alone CHEMCAD 6 files in the My Simulations directory
User Components in CHEMCAD

Another departure from previous versions of CHEMCAD is that simulations
are now self‐contained with respect to the data needed to run them. All custom
components that you create are stored in a database so that you can use them in
many different simulations. User components are also stored within the simulations
that use them, so you no longer have to worry about losing user components when
moving a simulation from place to place.
Each time you open a simulation, CHEMCAD compares any user components in
the simulation with the copies of those same components in the database. If the two
copies do not match, you will be offered a choice: you can keep using the local copy
stored in the simulation, or use the updated copy from the database.
Your copy of CHEMCAD can now have multiple user databases, and even share
them on networks with other users. To learn more about user components and best
practices for managing and securing user component databases, see Chapter 10,
Customizing CHEMCAD.
Example Files
Especially if you’re new to CHEMCAD, it’s a good idea to open and practice
working with some example files before creating your own simulations. For this
purpose, we’ve created numerous examples of simulations for typical chemical
processes. You can open, view, and edit any example file, and even save a copy in
another location to jump‐start a simulation of your own.
The CHEMCAD example files are automatically copied to your computer with a
complete CHEMCAD installation. The examples are organized by process type and
located in the \My Documents\My Simulations\Examples directory.
Opening an Existing Simulation

Select File > Open to bring up the Open dialog box. Navigate to the folder where the
simulation is located, select the appropriate .CC6 file, and click Open.
If you use CHEMCAD on a network and share files with other users, it’s possible
that you could try to open a simulation that is already open for editing by another
user. If you should attempt to open a simulation that is unavailable for editing, a
message box will appear. You can choose to save the simulation with a new name
and/or location, open a read‐only copy of the simulation, or cancel the open
operation.

Figure 4-02: Notification that a simulation is already in use
If you should have trouble locating a particular simulation, you can search your
hard drive or network for all files with a .CC6 file extension.
Creating a New Simulation

When you first open CHEMCAD, you’ll see a blank simulation window and
[Untitled] in the title bar.
You can begin building your simulation right away, but it’s recommended that
you save and name the simulation before you proceed very far. The longer you wait
to save the simulation, the more you risk losing your work if an unforeseen
computer or network problem should occur.
If you already have a simulation file open and want to start a new simulation,
first save your work if applicable. Then select File > New or click the New toolbar
button, to close the current file and bring up a new blank simulation screen. Note
that if you have unsaved changes in your existing file, CHEMCAD will ask you to
save or discard your changes before opening the new simulation.
Saving a Simulation
To save all changes in a simulation that you have already named, select File > Save
or click the Save button on the toolbar.
Note: In some cases, such as the built‐in CHEMCAD example files, existing files may
be set as read‐only to prevent accidental overwriting. You can save a copy of a read‐
only file using a different file name and/or file location.
To save a new simulation that you haven’t yet named, select File > Save As. The
Save As dialog box appears, with CHEMCAD 6 (*.cc6) as the default file type. Leave
the file type as it is, give the file a unique name, and if necessary navigate to a new
file location. Click Save to close the dialog box and return to the saved simulation.

Figure 4-03: Giving a new simulation a unique name
Note: Unlike previous versions of CHEMCAD, the changes you make to a simulation
are not saved until you use the Save or Save As command. This offers you greater
flexibility in choosing which changes to save or discard.
Saving and storing all of your simulations in the same directory helps prevent
the lost time and frustration that can result when files are scattered in different
locations. It is recommended that you store your simulations in the My Simulations
folder, which is created automatically within the My Documents folder at
installation.
Saving Different Cases for the Same Simulation

In certain situations, you may need to create a group of simulations that are nearly
identical to one another; previous versions of CHEMCAD referred to such groups of
similar simulations as cases. In CHEMCAD 6, each simulation is a free‐standing file,
but you can still easily “clone” simulations and make minor changes for comparison
cases.
To do this, simply create a simulation, save it, and then select File > Save As to
rename the next case. Make the needed changes for that case, save it, and continue in
that vein to create as many clones of your original simulation as needed, with
whatever differences you require.
E-mailing a Simulation
With CHEMCAD 6, e‐mailing a simulation is a simple matter of adding a file
attachment. Just open your preferred e ‐mail program, create a new message, choose
your recipients and add your text, then use the program’s command for attaching a
file. Navigate to the folder where the simulation is located, select the appropriate
.CC6 file, and add the file as an attachment.

Figure 4-04: Adding a .CC6 file as an attachment in MS Outlook
Before you e‐mail a simulation, you should ensure that you have saved any
recent changes. Also, it’s a good idea to check the size of the file before adding the
attachment, as simulation files can in some cases be quite large.
Working with CHEMCAD Files from Previous Versions

You can use CHEMCAD 6 to open simulations that were originally created with
CHEMCAD 5. When you do this, CHEMCAD creates a copy of the original
simulation, and makes that copy compatible with all CHEMCAD 6 functionality. The
flowsheet and simulation data in the copy are not altered in any way, and the
original file is left intact.
To bring an existing simulation up to date with CHEMCAD 6, select File > Open,
select the simulation, and click Open. A message will appear, notifying you that the
simulation will be copied.

Figure 4-05: Converting a CHEMCAD 5 file to the .CC6 format
Click Save to bring up the Save As dialog box, where you can either keep or
change the file’s name and select a location for the CHEMCAD 6 copy. Click Save to
create and open the new file.
Chapter 5
Building and Using a Basic Simulation
Although the types of simulations you can create using CHEMCAD are many and
varied, the basic procedure for creating a simulation can be broken down into the
following common steps:
1. Start a new simulation.
2. Select engineering units for the simulation.
3. Create a flowsheet with the appropriate streams and unit operations.
4. Select chemical components for the process.
5. Select K‐value and enthalpy options for the process.
6. Define the feed streams used in the process.
7. Enter specifications for the unit operations.
8. Run the simulation.
9. Review the results of the simulation.
Starting a New Simulation

Launch CHEMCAD and then select File > Save As. In the Save As dialog box,
specify a name and location for the simulation file.
When you first install CHEMCAD, the default location for saving new
simulations is a folder called My Simulations, located within your computer’s My
Documents folder. You can save your new simulation to that folder, or to any
accessible directory on your computer or network. As you’ll notice in the Save As
dialog box, the file extension for CHEMCAD simulation files is .CC6.
Selecting Engineering Units

To specify engineering units for this simulation, select Format > Engineering Units.
This brings up the Engineering Unit Selection dialog box, where you can select the
units to be used for everything from time and temperature to surface tension. The
majority of the options in this dialog box are located on the Units selection tab, but
you can click a second tab called Options and references for more options.
The buttons along the bottom of the Units selection tab enable you to set all of
the units to English, alternative SI, SI, or metric. If your desired units do not fit neatly
into one of these categories, you can choose the closest one and then manually select
different units for any items you like.
If you do find yourself customizing your list of units, you can save your
selections as a set, or profile, that you can quickly duplicate for future simulations. To
do this, first set all of the units the way you want them, then type a name for this
profile and click the Save Profile button.
You may not notice anything happening when you click Save Profile, but you
can verify that your new profile has been saved by clicking the Load Profile button.
This is the button that you will use for future simulations, to apply your custom
units profile with a single click. You should see a Select Item screen that shows the
name you gave the profile. If you click the profile name and then click OK, you’ll
load your custom units profile.
Back on the Engineering Unit Selection dialog box, click OK to apply your
engineering unit selections and continue creating your simulation.
Drawing the Flowsheet

To create the flowsheet for your simulation, you’ll need to add the appropriate unit
operation icons to your workspace and connect those UnitOps to one another with
streams. This connected group of streams and UnitOps forms the basis for the
simulation.
The tools for drawing a flowsheet are located in the Palette pane, which by
default displays on the right margin of the CHEMCAD window. The Palette pane is
divided into UnitOp categories, or you can view all of the available UnitOp icons at
once using the All UnitOps view.
Adding UnitOps
To place a UnitOp icon on your flowsheet, follow these steps:
1. On the All UnitOps palette, find the appropriate UnitOp icon for the
equipment you want to represent. When you point to the icon with the
mouse, the box around the icon lights up. Click the icon to select the UnitOp.
2. Move your mouse cursor to the workspace area, noting that the pointer
displays an outline of the UnitOp icon you’ve selected. Point to the location
on the workspace where you want to place the selected UnitOp, and then
click and release the left mouse button. The icon for the selected UnitOp
appears where you clicked.
3. Right‐click to deselect the UnitOp drawing tool and return to a normal
pointer. You can now click in the workspace area without drawing duplicate
UnitOps.
Selecting a Default Icon for a UnitOp

For certain UnitOps, you can select a default icon to customize the way that type of
equipment looks on your flowsheet.
Note: Icons that are already in place on the flowsheet will not be affected when you
select a new default icon.
You can see which icons offer this feature by moving your cursor over the All
UnitOps palette, noting the boxes that light up around the icons. A UnitOp that
offers a choice of default icons will have a black triangle in the lower right corner
when you point to its box.

Figure 5-01: Black triangle showing that the Divider UnitOp offers a choice of icons
To select a new default icon for a UnitOp, click the black triangle to see a pop‐up
selection box with all available icons. Click the icon you want to use; that icon
replaces the previously displayed icon on the palette. You can change the default
icon for a UnitOp as often as you like.

Figure 5-02: Selecting a new default Divider UnitOp icon
Manipulating UnitOp Icons

After drawing a UnitOp icon on a flowsheet, you can move, resize, or delete the icon
as needed.
1. Verify that the mouse pointer currently displayed is a normal arrow. If the
pointer displays as a UnitOp icon outline, right‐click to turn off UnitOp
drawing.
2. Click the UnitOp icon so that its four sizing handles (black boxes at each
corner) appear.
3. Manipulate the UnitOp icon as needed:
• To move the UnitOp, click the icon and drag to its new location.
• To resize the UnitOp, click any sizing handle and drag inward or
outward to achieve the desired size.
• To delete the UnitOp, right‐click and select Delete, or simply press the
[DELETE] key on your keyboard.
Drawing and Connecting a Stream

Before you can add a stream to a flowsheet, you must already have drawn the
UnitOps that the stream will connect. Follow these steps to add a stream:
1. Click the Stream tool in the upper right corner of the All UnitOps palette.
2. Move the cursor onto the workspace, noting that the pointer now appears as
a small plus sign. Find the icon for the UnitOp where the stream will start,
and point at the icon so that the blue inlet dots and red outlet dots are visible.
If this UnitOp offers more than one outlet location, decide which one you will
use.
3. Point at the red outlet dot so that the pointer turns into a small black arrow.
Click and release the left mouse button to start drawing the stream.
4. Move the cursor toward the UnitOp where the stream will end. As you
approach the UnitOp icon, the inlet and outlet dots on that icon will become
visible. If more than one inlet location is available, decide which one you will
use.
5. When you reach the blue inlet dot, click the mouse again to complete the
stream.
After you draw a stream, the Stream tool remains active so that you can draw
another stream right away if desired. To turn off stream drawing, simply click on
any blank area of the workspace; this returns your pointer to the normal white
arrow, which you can use to select and manipulate items on the flowsheet.
Choosing a Stream Route

If you draw a stream by clicking only at the UnitOp outlet and inlet, CHEMCAD
chooses the shortest and most direct path for the stream. In some situations—when a
UnitOp is in the direct path of the stream, for example—you will need to choose a
deliberate route for your stream.
To do this, click the mouse as you move from outlet to inlet, wherever you want
the stream to make a turn. Each time you click, the stream freezes in place, and from
there you can make a 90° turn to either the left or the right. You can add as many
detours as you like to a stream before bringing it into a UnitOp inlet.

Figure 5-03: Stream 2 with automatic routing (above) and deliberate routing (below)
Rerouting a Stream
Even after you’ve completed your flowsheet and added detailed information about
your streams, you can still reroute a stream if needed. To do this, click the stream to
select it, then right‐click and select Reroute stream. The old stream disappears,
replaced by the beginning of a new stream originating at the same outlet.
You can now click to create 90° turns, the same way you would with a new
stream, to route the stream exactly where you want it. Your last click must complete
the stream at the same inlet you used before. After a stream is rerouted, it retains all
of the stream detail that you had previously entered.
Other Drawing Tools

In addition to the Stream tool and the various UnitOp icons, the Palette pane offers a
text tool, as well as tools for drawing rectangles, ellipses, lines, multi‐part lines, and
polygons.
The Text Tool

To place text on a flowsheet, select the Text tool (which displays a large letter T) on
the All UnitOps palette. When you move your cursor over the workspace, you’ll
now see that your pointer has become a vertical line. Click the mouse to place a
blinking cursor on the flowsheet.
Start typing the text that you want to add. You will see the text appear wherever
you clicked the mouse. When you finish, click anywhere in the workspace to turn off
the Text tool.
You can now click and drag your new block of text around the workspace. You
can also select Format > Color or Format > Font to access various standard text and
object formatting tools.
Simple Drawing Tools: Rectangle, Ellipse, and Line

You can draw various shapes as needed on a flowsheet. The simplest of these shapes
to draw are rectangles, ellipses, and lines.
To add any of these shapes to a flowsheet, simply click the corresponding tool in
the All UnitOps palette. Then, then click and drag in the workspace to draw the
shape, releasing the mouse button when you have achieved the desired size and
shape.
Note that to make a perfect square or circle, you can hold down the [SHIFT] key
as you draw with the Rectangle or Ellipse tool, respectively.
Complex Drawing Tools: Multi-line and Polygon

In addition to these straightforward, click‐and‐drag shapes, you can also create more
complex shapes and lines on a flowsheet.
To create any open figure with an irregular shape, select the Multi‐line tool in
the All UnitOps palette. Move your cursor to the workspace and click in the area
where you want to start drawing. Then move the cursor and click again to create the
shape’s first line. Keep clicking and moving the mouse until you’ve created the
shape you want, and then double‐click to complete the shape and turn off the Multi‐
line tool.
To create an irregular closed polygon, select the Polygon tool and then move
your cursor to the workspace. Click where you want to start drawing, and then click
a second time to create the first side of your polygon. After the second click, you’ll
begin to see the open area being created. Continue moving the cursor and clicking
until you are ready to place your last point, and then double‐click to complete the
shape and turn off the Polygon tool.
Note that you can hold down the [SHIFT] key while using the Polygon tool to
create a right triangle.
Selecting Chemical Components

You can select chemical components for your simulation at any point while creating
the flowsheet, or you can wait until you’ve drawn the entire flowsheet before adding
components. Before you can run the simulation, you will need to list every
component involved in your chemical process so that CHEMCAD can work with
those components’ properties.
These chemical components are pulled from CHEMCAD’s component database, a
master list of thousands of chemicals with their associated properties. When you’re
ready to list components for your simulation, select Thermophysical > Select
Components to open the Select Components dialog box.

Figure 5-04: The Select Components dialog box
The Available Components column lists the contents of the CHEMCAD
component database, while the Selected Components column lists the components
currently included in this simulation. For a new simulation, the Selected
Components list is empty at first.
Every chemical that will be part of the process, whether it’s a feed stream,
product, or utility, must be listed on this simulation’s component list.
Finding a Component
Because of the large number of components in the CHEMCAD component database,
scrolling up and down the list of available components can be time‐consuming. To
find a specific component quickly, use the Search box at the bottom of the Select
Components dialog box.
Type the name of the chemical you want to find in the Search box. With each
letter that you type, CHEMCAD suggests possible matches in the Available
Components list. In the following example, typing the letters wa in the Search field
has highlighted the Water component.

Figure 5-05: Using the Search box to locate the Water component
The Search field accepts both text and numeric entries. By default, CHEMCAD
will search for your entry among all chemical names, chemical formulas,
CHEMCAD database IDs, and CAS numbers. If you would prefer not to search this
broadly, click the Options button. This brings up a dialog box that enables you to
“opt out” of including any of these items in your searches.

Figure 5-06: Selecting what to include in component searches
Note: You can add your own custom components to the CHEMCAD component
database. For more details about this feature, see Chapter 10 of this manual.
Adding a Component
Once you’ve located the component you want in the Available Components list,
simply double‐click the component to add it to the Selected Components list for your
simulation.
You can also select multiple components in the Available Components list and
then click the right arrow button, located between the two columns, to add the
components to your simulation. To select multiple components, use Windows’
standard selection methods of holding down [SHIFT] to select contiguous items or
holding down [CTRL] to select non‐contiguous items.

Figure 5-07: Adding multiple components using the right arrow button
If you would like to duplicate the component list from an existing simulation,
click Copy From Another Simulation. In the resulting Open dialog box, navigate to
the desired simulation, select that simulation, and click Open. The Selected
Components list is now populated with the components used in the simulation you
selected; you can add or delete items to customize the list.
Changing the Order of Selected Components

When your Selected Components list for a simulation is particularly long, you may
find it helpful to place certain components at either the top or the bottom of the list.
You can add components in any order, and then move them around in the list as
needed.
To move a component to a new position in the Selected Components list, click
the component to select it and then:
• Click Top to move it to the first position on the list.
• Click Up to move it up one position.
• Click Down to move it down one position.
• Click Bottom to move it to the last position on the list.
Removing Items from the Selected Components List

To remove a single component from the Selected Components list, click the
component to select it and then click Delete in the bottom right area of the Select
Components dialog box.
To remove all components from the Selected Components list and begin again,
click Clear, just to the right of Delete. If you have changed your mind about adding
components at this time, you can simply click Cancel to back out of component
selection.
Selecting K-value and Enthalpy Options

The first time you complete the Component Selection dialog box, you’ll be taken to
the Thermodynamics Wizard dialog box. At this point, you can either click Cancel to
skip the wizard and enter thermodynamics manually, or enter parameters in the
dialog box and click OK to see which methods the wizard suggests.
Using the Thermodynamics Wizard

Proper selection of thermodynamics is generally the most important step in a
process simulation. A poor thermodynamics selection may lead to unrealistic
simulation results.
The Thermodynamics Wizard makes general suggestions, based on your
component list and the specified ranges for temperature and pressure.
Selecting Components to Ignore

In the upper portion of the wizard screen, use the drop‐down boxes to indicate any
components that the Thermodynamics Wizard should not consider. This may affect
the results for model suggestion. For example, if you are using water as a coolant
and your other components are alkanes, the Thermodynamics Wizard will choose
UNIFAC. If you specify that water should be ignored, the wizard will ignore the
water and select SRK.
Specifying Process Conditions

In the lower portion of the wizard screen, specify the approximate temperature and
pressure ranges for this process. Entering accurate information in these fields will
help the Thermodynamics Wizard return a more useful recommendation.
In the BIP Data Threshold field, enter the minimum percentage of possible
binary interaction parameters (BIPs) which must be present in a BIP activity
coefficient model (NRTL, Wilson, etc). Without BIPs, activity coefficient models
simplify to Raoult’s law.
How the Thermodynamics Wizard Makes Suggestions

CHEMCAD’s Thermodynamics Wizard follows a logic tree to choose a model. The
logic tree assumes that all your components are mixed in a vessel, with conditions
falling into the specified temperature and pressure ranges.
• If all components are hydrocarbons, the wizard will likely suggest an
equation of state.
• If water is present, the wizard will likely select an activity coefficient method.
• If water and hydrocarbons are present, the wizard will likely select UNIFAC.
• If water and strong electrolytes (HCl, NaOH, etc.) are detected, the wizard
will suggest electrolyte models.
Temperature and pressure range will affect the selection of model. If pressure is
high, CHEMCAD is more likely to suggest an equation of state. If pressure is
atmospheric and temperature is below the normal boiling point of all components,
CHEMCAD may choose a liquid activity model or ideal vapor pressure.
Should the Thermodynamics Wizard be trusted to make design decisions?

Use the wizard as a starting point for your decision. Proper selection of
thermodynamics is the engineer’s responsibility. Your simulation may call for the
use of a different thermodynamic model than what the Thermodynamics Wizard
suggests.
Manually Selecting Thermodynamics Settings

To set up thermodynamics for your simulation manually, follow these steps:
1. Select Thermophysical > Thermodynamic Settings, or click the button by the
same name on the toolbar.

Figure 5-08: The Thermodynamic Settings button on the toolbar
2. This opens the Thermodynamic Settings dialog box. Start by determining,
based on your process knowledge, whether your system has two liquid
phases or a single liquid phase. In the Global K Value Option field, select a
method that can calculate the phase behavior relevant to your system.
3. Based on the specific circumstances of your process, make any needed
alterations to the options displayed on the K‐value Models tab. Note that the
options appropriate to your selected K‐value method are displayed in black,
while irrelevant options are displayed in gray.
4. Click Enthalpy Models tab, select the most appropriate model in the Global
Enthalpy Option field, and make any other changes to the options on this tab
as needed for your process.
5. Click the Transport Properties tab and verify that the settings there are
appropriate for this simulation. Change any settings as needed and then click
OK to close the Thermodynamic Settings dialog box.
6. If you’ve made any changes, a message box appears: All streams should be
reinitialized. Proceed with reinitialization? Click Yes to reinitialize all streams
now, or No if you’d prefer to wait and reinitialize the streams later.
Defining Streams
The streams that you have drawn on your flowsheet are still just lines with no data
behind them, so the next step is to edit these streams, populating them with
composition data and other properties.
Note: In most situations, the streams you’ll need to define will be the feed streams in
your process. Other types of streams, such as recycle cut streams, may also require
definition.
You can edit a single feed stream using either of these methods:
• Double‐click the stream.
• On the Simulation tab in the CHEMCAD Explorer, expand Flowsheet and
then Streams, right‐click the stream in question, and select Edit Stream.
You can edit all feed streams in the flowsheet at once using either of these
methods:
• Select Specifications > Feed Streams.
• Click the Edit Feed Streams toolbar button, which displays a large red feed
stream arrow.
Whichever method you choose, you’ll see the Edit Streams dialog box, with
either a single column of data or a column for each feed stream in the flowsheet. In
this dialog box, specify properties for each feed stream listed.
Thermodynamic Properties
You must specify exactly two of the following three variables:
• Temp F
• Pres psia
• Vapor Fraction
CHEMCAD will calculate the third variable and enthalpy, based on the two
variables you specify and the thermodynamics method you’ve selected.
Stream Composition
To define the stream composition, you’ll need to specify a composition unit and the
amount of each component that is present in the stream.
Select a unit from the Comp unit drop‐down list, and then based on that
selection, populate the field for each component with the appropriate amount,
percentage, or fraction.
For stream compositions expressed as a percentage or fraction, you can enter
values that do not total 100%. In this case, CHEMCAD will normalize the
composition to fractional values that total 1. To preview the normalized values that
CHEMCAD assigns to the components, click Flash.
Total Flow Properties

If the component flow engineering unit used for a stream is dimensionless (i.e., mole
fraction, weight fraction, or volume fraction), you must specify the following flow
properties:
• Total flow
• Total flow unit
If you enter your component amounts as fractions, then you must also enter a
total flow rate. If you enter composition amounts using quantitative flow units,
CHEMCAD calculates the total flow rate for you.
Specifying Equipment Parameters

Once you have specified the necessary stream properties for your simulation, the
next step is to enter specifications for the UnitOps. You can edit the properties of a
UnitOp using any of the following methods:
• Double‐click the UnitOp icon on the flowsheet.
• Click the UnitOp icon and then select Specifications > Edit UnitOps > Select
UnitOps.
• On the Simulation tab in the CHEMCAD Explorer, expand Flowsheet and
then UnitOps, right‐click the UnitOp in question, and select Edit UnitOp
Data.
The dialog box that displays when you go to edit a UnitOp’s properties will
depend on the type of UnitOp. The Stream Mixer UnitOp, for example, has only one
specification that you can set, while the SCDS Column UnitOp has five tabbed pages
of detailed settings.

Figure 5-09: Two different UnitOps that require very different amounts of input
The detailed information about the specifications for each type of UnitOp is
contained in the CHEMCAD Help system, which you can access from any
CHEMCAD screen by pressing the [F1] key.
These specification screens do, however, have certain rules in common:
• Items with green text labels are required entries.
• All other entries are optional.
• Clicking OK saves your specification changes; clicking Cancel discards them.
After you click OK, CHEMCAD checks your data for internal consistency and
then returns errors or warnings as warranted. These items display in the Messages
pane in the CHEMCAD window.
Running the Simulation

Now that you’ve drawn the flowsheet and added detail to the streams and UnitOps
that make up the flowsheet, you can run the simulation. You can either select Run >
Run > Run All or simply click the Run button on the toolbar.
When you run a simulation, CHEMCAD calculates material and energy balances
throughout the entire flowsheet and returns any errors or warnings discovered in
the flowsheet. If the run completes successfully, a Run finished message appears at
the far left of the status bar, at the very bottom of the CHEMCAD window.
Note: For preliminary checks of individual UnitOps or groups of UnitOps, you can
select Run > Run > Run Selected UnitOp(s).
Reviewing the Results

After a simulation has run, you can call up any number of individual text‐based
reports or graphical plots, either for on‐screen viewing or for printing. Reports can
provide data on any single stream or UnitOp, or any group of streams or UnitOps, in
a steady‐state or dynamic simulation. You can also request a consolidated report that
provides comprehensive data on the streams and UnitOps you select.
Note: CHEMCAD reports, plotting, and plot printing are covered in detail in
Chapter 8, Output and Reports.
Chapter 6
Using CHEMCAD for High-fidelity Modeling
Unit operation specifications in CHEMCAD vary greatly in detail, from vague and
conceptual to extremely specific and realistic. Depending on the demands of your
process and what you’re trying to achieve with your simulation, you may work with
what we call low‐fidelity modeling, high‐fidelity modeling, or both.
This chapter addresses CHEMCAD’s capacity for high‐fidelity modeling and
how to achieve a high level of realism with your UnitOps.
What is high-fidelity modeling?

With low‐fidelity modeling, you specify what you want, or what you have observed,
and CHEMCAD makes its calculations based on the assumption that you can
achieve what you’ve specified. It’s common to specify observed properties such as
temperature and/or pressure coming out of a UnitOp, or component purity coming
out of a separation unit. Specifying temperature coming out of a heat exchanger is an
example of low‐fidelity modeling.
High‐fidelity modeling, on the other hand, requires that you enter numerous
extensive variables. CHEMCAD calculates the resulting conditions based on these
detailed entries. With high‐fidelity modeling, you’re often required to specify
geometry‐related variables for a UnitOp so that CHEMCAD can calculate precise
conditions at the equipment’s outlet.
Here’s the key distinction between low‐fidelity and high‐fidelity modeling in
CHEMCAD:
• Low‐fidelity: You specify the desired results and CHEMCAD assumes that you
can achieve those results with the equipment you have.
Using CHEMCAD for High‐fidelity Modeling
• High‐fidelity: You specify energy and equipment parameters and CHEMCAD
calculates the actual results.
Criteria for High-fidelity Modeling

To take advantage of CHEMCAD’s high‐fidelity modeling capabilities, you must
provide detailed specifications for your equipment. To do this, most UnitOps require
that you select a calculation mode that allows for entry of high‐fidelity‐caliber detail.
For example, if you have a pump that is set to the default mode of Specify outlet
pressure, you’ll get a low‐fidelity result from this pump—that is, the simulation will
use the outlet pressure that you specify, but without consideration for the size of the
pump, the amount of fluid entering the pump, or inlet pressure.
If you switch the pump to Specify performance curve, a high‐fidelity mode, you’ll
need to enter data points from the pump’s performance curve, either for a single
speed line or for multiple speed lines. Using this mode, CHEMCAD will calculate
the change of pressure head based on the performance data and the inlet volumetric
flow rate. This provides a realistic pressure increase for the actual pump that your
process uses.
Not every type of CHEMCAD UnitOp lends itself to high‐fidelity modeling. The
following sections discuss various types of UnitOps that do offer high‐fidelity
calculation modes, and provide some basic information about how to use those
modes.
Introduction to Equipment Sizing

Equipment sizing in CHEMCAD is optional. It entails using the Sizing menu
options, generally after running a simulation, to calculate approximate sizes for
pipes, vessels, valves, orifices, and other equipment.

Figure 6-01: The Sizing menu, showing heat exchanger sizing options
Equipment sizing can complement low‐fidelity results, and often provides an
excellent starting point for high‐fidelity modeling. You can use certain sizing results
as input for high‐fidelity models of UnitOps in your simulation. Specifying
geometric parameters for UnitOps can help you obtain more realistic results.
Note that for low‐fidelity modeling, sizing does not change converged flowsheet
results. Also, for some UnitOps, certain geometry parameters must be entered
regardless of the selected calculation mode.
High-fidelity Modeling and Sizing for Common UnitOps

High‐fidelity modeling does not apply to all CHEMCAD UnitOps. This section
summarizes those UnitOps for which you can use high‐fidelity modeling, and
compares that approach for each UnitOp type to low‐fidelity modeling. Where
applicable, UnitOp sizing is also discussed as it relates to low‐fidelity versus high‐
fidelity modeling of these UnitOp types.
Piping
You can use either low‐ or high‐fidelity modeling for piping in your simulation.
Pipeline sizing is done based on the composition of a selected stream.
Low-fidelity
For low‐fidelity modeling of piping, you are required to specify pipe diameter and
length in most modes; design modes that calculate diameter are the obvious
exception to this. The pressure drop through the pipe is calculated based on
diameter, length, and flow rate through the pipe.
Sizing
To perform sizing calculations, select Sizing > Piping. Select one or more streams,
then in the Pipe Sizing dialog box, select a sizing option and click OK for line sizing
results. You can use these results, such as suggested pipe thickness and diameter, to
specify geometry for a Pipe UnitOp, or simply review them for the information you
need.

Figure 6-02: Line sizing results from the Pipe Sizing dialog box
High-fidelity
In high‐fidelity piping models, Pipe UnitOps interact with Node UnitOps to balance
pressure and flow rates hydraulically among connected pieces of flow‐based
equipment. Nodes must be placed on both sides of all Pipe UnitOps to be included
in hydraulic balance; pressure and flow constraints are set at the nodes, not in the
pipes.
A high‐fidelity piping model can show changes in flow rate based on back
pressure where two pipes mix, whereas a low‐fidelity model would simply assign
the lower of two specified pressures to the outlet without consideration for back
pressure.
Pumps, Compressors, and Expanders

You can create pump, compressor, and expander UnitOps using either low‐fidelity
or high‐fidelity modeling.
Low-fidelity
For these equipment types, CHEMCAD calculates power usage and thermal effects
on the fluid, based on specified output pressure or pressure increase. Other
parameters, such as efficiency, are optional but do affect results.
High-fidelity
To produce a high‐fidelity model for these equipment types, you must select the
operation mode in which you specify performance curves—that is, pressure change
as a function of volumetric flow rate. This performance information is generally
available from the equipment vendor. Based on the volumetric flow entering the
UnitOp, CHEMCAD calculates outlet pressure.
As with piping, high‐fidelity modeling for pumps, compressors, and expanders
can be used with nodes as part of a hydraulic flow balanced network.
Vessels and Tanks

You can add vessels and tanks to your simulations using high‐fidelity modeling, or
perform limited approximation of these equipment types with low fidelity in steady
state. Sizing is available for certain types of vessels.
Low-fidelity
With low‐fidelity modeling of a vessel or tank, a stream enters the Flash UnitOp and
separates into vapor and liquid; CHEMCAD does not consider hold‐up or liquid
level in the tank. If you want to take a steady‐state snapshot of the vessel, you can
manually adjust the flow rate and/or thermal conditions to make volumetric flow
rates match the volume of the vessel.
Note: The Tank UnitOp is specifically intended for use with the Batch Column
UnitOp. It does not represent a standard storage tank for general purposes.
Sizing
To calculate sizing for a vessel, select a Flash UnitOp and then select Sizing > Vessel.
Choose either LV Vessel (liquid‐vapor vessel) or LLV Vessel (liquid‐liquid‐vapor
vessel), depending on your needs. In the resulting dialog boxes, enter the
appropriate values for your vessel and click OK.

Figure 6-03: Sizing a vessel in CHEMCAD
The results that CHEMCAD returns include basic vessel geometry such as height
and diameter.
You can also perform vessel sizing on a converged distillation column to
calculate geometry for a reflux drum or similar piece of equipment.
High-fidelity
You can perform high‐fidelity modeling only on batch reactors and dynamic vessels,
and only with a CC‐DYNAMICS license (for dynamic vessels, a CC‐SAFETY NET
license will suffice). If you specify the geometry of your vessel and use CHEMCAD’s
dynamics mode, you can study what happens in the vessel over time as material is
added or withdrawn.
Unlike simple flash vessels, batch reactors and dynamic vessels do consider
hold‐up, liquid level, and variable pressure over time.
Valves
Valve modeling in CHEMCAD can be either low‐fidelity or high‐fidelity. You can
size a control valve based on any flowsheet stream.
Low-fidelity
The VALV UnitOp is used for low‐fidelity modeling of a valve. For this type of
UnitOp, you specify outlet pressure or pressure decrease through the valve.
Sizing
Select Sizing > Control Valve, then select a stream. In the Control Valve Sizing
dialog box, specify the outlet pressure for the theoretical valve, and enter other
specifications as appropriate. When you click OK, CHEMCAD returns information
such as capacity coefficient (Cv) and valve size.
High-fidelity
The CVAL UnitOp is used for high‐fidelity valve modeling. Decide which values
you will provide and which values CHEMCAD will calculate, and select the
appropriate operating mode in the Control Valve dialog box. Provide the valve’s Cv
value, and any other specifications as needed.
Control valves can be used with nodes as part of a hydraulic flow balanced
network.
Columns
Columns in CHEMCAD can be modeled as either low‐fidelity or high‐fidelity. You
can perform sizing on any converged column.
Low-fidelity
For low‐fidelity modeling of columns, use the Tower, Tower Plus, or SCDS UnitOps.
Specify ideal stages and the conditions at the reboiler and condenser, as applicable.
A low‐fidelity column model does not consider mass transfer effects or column
internals.
Different column specifications can provide more realism without taking
geometry into account. Specifying top purity is a very low‐fidelity model, while
specifying reflux ratio or condenser duty can bring your results closer to reality.
Sizing
After running your simulation, click the UnitOp representing the distillation column
and select Sizing > Distillation; choose either Trays or Packing, based on the type of
column.
The resulting dialog boxes prompt you to enter information about your trays or
packing and the calculation methods you want to use for column sizing. You will
generally need to enter some geometry and hydraulic parameters to complete
column sizing.

Figure 6-04: Specifying high-level tray data for distillation column sizing

Figure 6-05: Specifying detailed tray data
Based on flowsheet values and your sizing input, CHEMCAD returns column
geometry information such as height and diameter. It also provides hydraulic
performance information such as predicted amount of flooding.
Note: The results of column sizing calculations do not interactively change the results
of the flowsheet simulation.
High-fidelity
To perform high‐fidelity modeling of a distillation column in steady state, use the
SCDS UnitOp and select either of the mass‐transfer simulation models for the
column.
You will need to specify geometry for the column and choose a calculation
method for the selected mass‐transfer model. CHEMCAD calculates column
performance based on your packing or tray specifications.
For columns, mass‐transfer‐based modeling performs rigorous non‐equilibrium
mixing of vapor and liquid, whereas low‐fidelity modeling assumes ideal mixing.
To perform high‐fidelity modeling of a distillation column in dynamics, specify
the geometry of the column and details about the control system. This dynamic
distillation can consider column hold‐up and the effect of variables changing over
time.
Note: The Shortcut Column UnitOp is not a rigorous calculation model. Unless your
system satisfies the constant molar underflow assumption, you should consider
using a different type of distillation column.
Heat Exchangers
When specifying a heat exchanger in a simulation, you can use either low‐ or high‐
fidelity modeling as well as sizing, depending on the type of heat exchanger
involved.
Low-fidelity
When creating a simulation, you can use a low‐fidelity approach by simply
specifying the thermal conditions coming out of the exchanger. Specifying heat duty
instead of merely an outlet temperature brings your results closer to reality, but this
approach still doesn’t consider geometry.
Sizing
You can use the CC‐THERM module for rigorous calculation of heat transfer
coefficient (U) based on heat exchanger geometry. In rating mode, CC‐THERM
determines whether the user‐specified heat exchanger is capable of the flowsheet
heat exchanger performance. In design mode, CC‐THERM calculates an exchanger
design that is capable of the flowsheet performance.
High-fidelity
For some exchanger categories—specifically shell‐and‐tube and double‐pipe—you
can use the rigorous CC‐THERM model to calculate heat exchanger performance.
The flowsheet results are based on rigorously calculated U value and the specified
exchanger geometry. You can also determine approximate fouling of a unit if actual
outlet temperatures are known.

Figure 6-06: Heat exchanger summary report generated as an Excel worksheet
Relief Devices
For relief devices, sizing is not necessarily distinct from low‐fidelity modeling. To
model dynamic relief of a vessel, you can instead use high‐fidelity modeling.
Low-fidelity
To model a steady‐state snapshot of a relief device, select Sizing > Relief Device,
specify rating or design mode, and select the appropriate options for your relief
scenario. When you click OK, CHEMCAD returns a relief device calculation
summary.
If you select the Rigorous integral analysis design method when sizing a relief
device, you will obtain a more dynamic result.

Figure 6-07: Selecting the rigorous integral analysis method for relief device design
High-fidelity
You can perform high‐fidelity relief device modeling for the Batch Reactor and
Dynamic Vessel UnitOps. You can specify the relief device nozzle area, as well as
other specifications for your relief scenario. This enables you to study the dynamic
relief of the vessel.
Licensing Considerations for High-fidelity Modeling

To use the heat exchanger sizing functionality, you must currently have a valid
license for the CC‐THERM module of CHEMCAD. To use batch reactors, you’ll need
a valid license for the CC‐DYNAMICS module. For dynamic vessels, a license for
either CC‐DYNAMICS or CC‐SAFETY NET is required.
If you don’t currently have access to the heat exchanger sizing or dynamics
features and want to add any of these modules to your copy of CHEMCAD, contact
the person within your organization who handles software licensing, or if
appropriate, you can contact Chemstations or a CHEMCAD distributor directly. For
a complete list of Chemstations contacts for all parts of the globe, see our web site
(www.chemstations.net/contact.htm).
License Settings
If you’ve just added modules to your CHEMCAD license, you should return to the
License Settings screen to change settings before proceeding.
Select Tools > Options > License Settings (if a simulation is open) or License >
License Settings (if no simulation is open) to bring up the License Settings screen.
Move the slider for each newly‐installed module to As Needed and then click OK to
apply your changes.
You may see a Trace Messages window; if one appears, click OK to close it. The
next screen that appears is the Licenses in Use screen, where you can review the list
of CHEMCAD products for which you currently have licenses. Click OK to close this
screen and return to the main CHEMCAD window.

Chapter 7
Building and Using a Dynamic Simulation
While steady‐state modeling can provide all of the information you need for many
purposes, it’s often informative to look closely at the changes over time that affect
your streams and equipment. CHEMCAD’s CC‐DYNAMICS module makes it
possible to simulate a process over time.
What do we mean by dynamics?

We use the term dynamics to describe modeling a chemical process over a set period
of time. During the course of a real‐world chemical process, factors such as utility
temperature, feed composition, and liquid levels tend to change. Modeling the
response of your process to these changes can help you understand and predict what
might happen with your process over time.
Given a flowsheet, a length of time to run, and the calculation interval to use,
CHEMCAD can return detailed results that take into account these types of changes.
The program can consider the material holdup within process equipment such as
tanks, reactors, and pipes. It also enables you to model control systems such as PID
controllers.
Licensing Considerations
To use the functionality described in this chapter, you must have a valid license for
the CC‐DYNAMICS module of CHEMCAD.
If you don’t currently have access to the dynamics features and want to add CC‐
DYNAMICS to your copy of CHEMCAD, contact the person within your
organization who handles software licensing, or if appropriate, you can contact
Chemstations or a CHEMCAD distributor directly. For a complete list of
Chemstations contacts and CHEMCAD distributors for all parts of the globe, see our
web site (www.chemstations.com/contact.htm).
License Settings
If you’ve just added CC‐DYNAMICS to your CHEMCAD license, you’ll need to
return to the License Settings screen to change a setting before you can run dynamic
simulations.
Select Tools > Options > License Settings (if a simulation is open) or License >
License Settings (if no simulation is open) to bring up the License Settings screen.
Move the slider for CC‐DYNAMICS to As Needed and then click OK to apply your
change.
You may see a Trace Messages window; if one appears, click OK to close it. The
next screen that appears is the Licenses in Use screen, where you can review the
CHEMCAD products (including CC‐DYNAMICS) for which you currently have
licenses. Click OK to close this screen and return to the main CHEMCAD window.
Additional Input for Dynamic Operation

Before you create a dynamic simulation, you’ll need to gather the relevant
information about your UnitOps and streams, as you would with any simulation. In
addition, you need to be able to answer the following dynamics‐specific questions:
• How long will the simulation run?
• What will be the interval (delta time/step size) between calculations?
• What is the change that you want to study over time?
• If applicable, what is the initial composition and charge of any dynamic
vessels or batch reactors?
The basic steps for a dynamic simulation are largely the same as those for a
steady‐state simulation, with a few vital differences:
1. Create a new simulation.
2. Select engineering units.
3. Draw the flowsheet.
4. Select components.
5. Select thermodynamics options.
6. Specify feed streams and initial stream conditions.
7. Set specifications for UnitOps.
8. Run the simulation in steady state to obtain time‐zero values.
9. Switch the simulation to dynamics.
10. Specify dynamics settings, such as run time and initial charge(s).
11. Run the simulation in dynamics.
12. Review the results.
13. Re‐run or extend the simulation as needed.
14. Generate plots and reports as needed.
Before you start working on a dynamic simulation, it’s important to have as
much information about your process as possible, a clear idea of what you want to
find out, and a strategy for producing the results you need.
Strategies for Dynamic Simulations

When you start planning a dynamic simulation, it’s vital that you know what
question or questions you are trying to answer. To get useful, informative results,
you should start with a simple question and then refine the simulation and run it
again.
For example, to discover how heat affects a vessel’s temperature over time, you
might start by applying constant heat to the vessel for the duration of your dynamic
simulation. You can then save a copy of that simulation, change it to use variable
heat, and review the results to see how they differ from the original. Based on that
second simulation, you can make another copy, and this time try variable heat with a
control system to attempt to maintain a consistent temperature. Each of these
dynamic simulations would bring you closer to what you actually want to discover.
Each subsequent simulation requires more information from you to run and return
the results you want.
While there is no requirement that you approach dynamics problems this way,
it’s a sound practice that will save you time and frustration in the long run.
Setting Up Dynamic Operation

Before you can run a dynamic simulation, you need to provide parameters such as
run time and step size. First, however, you must activate CHEMCAD’s dynamics
mode.
Switching to Dynamics
Follow these steps to switch a simulation from steady‐state to dynamic operation:
1. Open the simulation and select Run > Convergence. This brings up the
Convergence Parameters dialog box.
2. In the lower right portion of the dialog box, click in the Steady
State/Dynamics field and select Dynamics.

Figure 7-01: Switching to dynamics
3. Click OK to save the changes and close the dialog box.
After you switch to dynamics, you’ll notice that a few things have changed on
the CHEMCAD screen:
• The status bar at the bottom of the main CHEMCAD window changes. A few
inches from the right edge of the screen, instead of the words Steady State,
you’ll now see DTime and a time counter displaying the number of minutes
your simulation has run. Before you run the simulation, the DTime setting
displays 0:00 min.
• The steady‐state Run All button on the toolbar is disabled, and the dynamics
buttons are now activated. These buttons, shown in Figure 7‐02, are (left to
right) Set Run Time, Reset to Initial State, Run Dynamic Simulation, Plot
Dyn Streams, and Plot Dyn UnitOps.

Figure 7-02: Toolbar buttons for dynamics
• You can now select Run > Dynamics to bring up the Dynamics Menu. This
window provides convenient access to all dynamics settings and commands.

Figure 7-03: The Dynamics Menu
Setting the Run Time

The next step is to set the run time for the simulation. First decide whether your run
will require a single step or multiple steps.
A step in this case refers to a time period during which CHEMCAD will capture
data from the simulation at uniform intervals. For example, you might set up a
single‐step dynamic run of 60 minutes, with a step size of one minute, for a total of
60 data points for the run. If this is all that you need to do, your run can be
accomplished in a single step.
If, on the other hand, you need to run your process for 60 minutes capturing data
at one‐minute intervals, and then switch to capturing data every 30 seconds for the
next 20 minutes, you’ll need to use two steps. If you want to record data every five
minutes for the first hour, every minute for the second hour, and every 30 seconds
for the third hour, you’ll need to use three steps.
The step size that you select will have an impact on the accuracy of the results
and the speed of the calculation. Smaller time steps produce more precise results, but
also require more time to make the run. Smaller isn’t always better, however, as
extremely small time steps can lead to significant round‐off error.
Once you know how many steps you need to use and what your data‐capture
interval will be for each step, follow these steps to set the run time parameters:
1. Click Set Run Time on the Dynamics Menu, or click the Set Run Time
button on the toolbar. This brings up the Dynamic Run Time Schedule dialog
box.

Figure 7-04: The General tab on the Dynamic Run Time Schedule dialog box
2. On the General tab, set the number of operation steps you plan to use, or
leave the default setting of 1. The maximum number of steps that you can
specify is 10.
Note: When you initially set up dynamics for a simulation, the Current time display
field on this tab will be empty. After the simulation has run, this field displays the
total time of a completed run or the current time of an interrupted run.
3. Now click the Step 1 tab and specify the parameters for this portion of the
dynamic run. Enter the total time for this dynamic step in the Run time field,
and the interval in minutes in the Step size field.

Figure 7-05: The Step 1 tab on the Dynamic Run Time Schedule dialog box
4. If you have other steps to specify, click each tab in turn and enter the Run
time and Step size information.
5. When you have specified all steps, click OK to return to the main
CHEMCAD window.
The Dynamic Run Time Schedule dialog box also allows for conditions other
than time to determine the duration of a dynamic operation step. If you select
Stream or Equipment instead of the default Time option, you can specify a stream
or UnitOp parameter that will trigger the end of this step, if that parameter is
reached before the step’s run time is up.
Selecting Streams and UnitOps

Now that you have specified how long your dynamic process will run, you need to
tell CHEMCAD what stream and UnitOp data to record during the run.
1. If the Dynamics Menu is not already open, select Run > Dynamics to open it,
then click the Record Streams button.
2. In the Record Streams dialog box, do one of the following:
• Check the Select streams from flowsheet box, click OK, and then use the
mouse to add streams to the Select Streams dialog box.
• Type the names of streams you want to record in the ID boxes.

Figure 7-06: The Record Streams dialog box
3. When you have selected all the streams you want to record, click OK to
return to the Dynamics Menu.
4. Now click the Record UnitOps button. In the Record UnitOps dialog box,
select UnitOps in the same way that you selected streams in step 2.
5. Click OK to return to the Dynamics Menu.
Note: In both the Record Streams and Record UnitOps dialog boxes, you can use the
RunTimePlot check boxes to include selected items in a real‐time plot. Selecting
items for runtime plotting leads to another dialog box (either Dynamic Stream Plot
Options or Dynamic Equipment Plot Options), where you can select plot specifics for
each stream or UnitOp. It is recommended that you use runtime plotting in
moderation, as too many streams and UnitOps can become visually confusing and
slow down calculations considerably.
Running a Dynamic Simulation

Now that you have set the run time and recording parameters, you can run the
simulation. When you run a dynamic simulation in CHEMCAD, a calculation of the
entire flowsheet runs for each step in the time range that you select.
In dynamics mode, you have three options for running a simulation: run from
the simulation’s initial state, run from the simulation’s current state, or advance the
simulation one time interval at a time manually.
Note: At any point during a dynamic run, you can press the [ESC] key on your
keyboard to stop the run after the current calculation. When you do this, you will see
a Program interrupted message. Click OK to close the message box, and then either
inspect your run results or select a run command to continue.
Run from Initial State

This option resets the flowsheet to its initial conditions and begins the dynamic
simulation. When you run a simulation this way, all results from previous
simulations are discarded.
To use this option, use either the Run from Initial State button on the Dynamics
Menu or the Run Dynamic Simulation button on the CHEMCAD toolbar.
Run from Current State

When you use this option, the dynamic run begins from the current conditions.
Those conditions might be the initial state of the flowsheet, the end of a previous
run, or the middle of an interrupted run. Selecting this option continues the
simulation from the current state, i.e., from the last calculated result.
You can use this option only when some calculations remain to be run. This
means that unless you have interrupted the run using [ESC] or the step‐by‐step
method described in the next section, you must schedule one or more additional
steps using the Dynamic Run Time Schedule before continuing.
Use the Run from Current State button on the Dynamics Menu to run the
simulation starting from current conditions.
Run One Step at a Time

If you want to get a detailed view of your dynamic run as it unfolds, you can choose
to run one interval at a time. With this option, the dynamic run will stop after each
discrete time step. To run the next time step, you will need to use the Run Dynamic
Simulation toolbar button or the Run from Current State button on the Dynamics
Menu.
To use this frame‐by‐frame approach to dynamics, select Run > Convergence
and then check the box called Run one time step for dynamic simulation. Click OK
to confirm this change. To turn off this feature, return to the Convergence
Parameters dialog box to clear this check box.

Figure 7-07: Convergence Parameters setting to run one step at a time
Other Dynamic Commands

In addition to the options for dynamic run setup and dynamic commands, the
Dynamics Menu offers two other items: Reset to Initial State and Save as Initial
State.
Reset to Initial State

In a dynamic simulation, you can change stream and UnitOp specifications only
when the dynamic time is set to zero. During or after a run, if you attempt to edit the
specification dialog box for a UnitOp, you will find the OK button disabled and a
message instructing you to restore the simulation to its initial state.

Figure 7-08: A UnitOp specification dialog box during a dynamic run
To return the simulation to its initial state—also known as time zero—click the
Reset to Initial State button on the Dynamics Menu, or use the Reset to Initial State
button on the main CHEMCAD toolbar.
Note: An advanced feature to allow specification editing at any time is available, but
should be used with extreme caution to avoid confusion and unintended results.
This feature is controlled by a check box on the Convergence Parameters dialog box.
Save As Initial State

The Save as Initial State command sets the current conditions of the dynamic run as
the new initial state. It discards all parameters from the previous initial state, and
makes it impossible to recover the previous initial state data.
An example of a dynamic run can illustrate the usefulness of this command.
Suppose that you run a simulation for five minutes and the temperature in a vessel
increases from 50° C to 70° C. You decide that 70° C is a better starting point for this
vessel, and you want to capture all of the other values that correspond to that
temperature in this vessel. You can achieve this by saving the current conditions as
the initial state.
To do this, click the Save as Initial State button on the Dynamics Menu. You will
see a message warning you that you will lose the original state conditions if you
continue. If you are prepared to do this, click Yes. For our example, this would mean
losing the first five minutes of your previous run, along with the 50° C starting
temperature for the vessel.
After you save a new initial state, the Run from Initial State and Reset to Initial
State commands both reference your new initial state settings.
Output from Dynamic Simulations

The results from dynamic simulations are markedly different from those produced
by steady‐state simulations, primarily in that they record data trends over time
instead of a static snapshot of a fixed process. With dynamic simulations,
comparisons of slightly different process specifications, and of the same process at
different points during a run, can be very useful.
For this reason, you may find that graphical reports provide the most useful
information when you’re working with dynamic simulations. CHEMCAD provides
a series of dynamics plotting options to meet this need; you can also generate
various text‐based reports, and view calculated flowsheet values at any point during
a dynamic run or after a run is complete.
Reviewing the Flowsheet Specifications

A snapshot of flowsheet values from a dynamic run doesn’t provide as much value
as it would for a steady‐state run, but it can come in handy in many situations.
After running a dynamic simulation, you can view the data behind any
flowsheet stream or UnitOp to see the effects of the run calculations. Double‐click
any stream or UnitOp on the flowsheet to review its end‐of‐run values.
You can also stop to review flowsheet data in the middle of a run, either by using
the Run one time step for dynamic simulation option or by pressing [ESC] to pause
a run. Once the run has stopped, you can double‐click any stream or UnitOp to
review its current values.
Plotting Dynamic Results

You can plot the results of dynamic simulations using either the Plot menu or the
dynamics buttons on the main CHEMCAD toolbar.
Dynamic plots display selected values over time. The following dynamic plots
are available:
• Batch Reactor/DVSL History: This plot displays selected values for a batch
reactor or dynamic vessel, including composition of the vessel contents over
time. The dialog box used to generate this plot is user‐friendly and focuses on
the most commonly used variables for these types of equipment.
• Dynamic Column History: This plot displays selected values for a dynamic
column, including composition of trays, distillate, and bottoms.
• Dynamic Stream History: This plot displays selected stream properties from
any recorded stream. You can also generate this report using the Plot Dyn
Streams toolbar button.
• Dynamic UnitOp History: This plot displays selected UnitOp parameters
from any recorded UnitOp. You can also generate this report using the Plot
Dyn UnitOps toolbar button.
Note: For the Dynamic Stream History and Dynamic UnitOp History plots, be sure
to record the streams and UnitOps that you want to study. You can only request
these plots for recorded streams or UnitOps.
Text-based Dynamic Reports

Based on the graphical results of your dynamic simulation run, you may decide to
make changes to your process, run parameters, or both, and then re‐run the
simulation. When you have fine‐tuned your simulation and obtained satisfactory
results, you can view those results in text form as well as graphical form, for a more
detailed look at exact values.
To access text‐based dynamic reports, select Report > Dynamics and then select
one of the following reports:
• Dynamic Column History: This report provides dynamic column results for
a selected column. The Print Report Options dialog box offers the most
relevant items for dynamic column reporting.
• Dynamic Stream History: This report provides stream histories for a specific
stream that you select, based on the interval that you specify and including
the compositions, components, and stream properties that you select.
• Dynamic UnitOp History: This report provides detailed information about a
dynamic UnitOp in the simulation, based on the interval that you specify and
including the UnitOp parameters that you select.
Note: For the Dynamic Stream History and Dynamic UnitOp History reports, be sure
to record the streams and UnitOps that you want to study. You can only request
these reports for recorded streams or UnitOps.
Chapter 8
Output and Reports
One of CHEMCAD’s greatest strengths is its capacity to provide detailed,
customized information about equipment, streams, and processes. You can create
custom reports from simulations, spec sheets for UnitOps, and databoxes for process
flow diagrams, and you can plot or print any of these items in the most appropriate
format.
Text Reports
CHEMCAD can produce a wide array of customizable text‐based simulation reports,
based on stream data, UnitOp data, flowsheet data, or dynamics. If you prefer, you
can produce one consolidated report incorporating all of the available text report
data.
Report Setup
Before you run, view, or print reports, you should check the settings that determine
which programs CHEMCAD will use to display and print your reports.
For individual text reports, you can choose to use either WordPad or Excel. By
default, CHEMCAD uses WordPad. To switch to Excel, select Tools > Options >
Report Viewer Settings and then check the box called Use Microsoft Excel instead of
WordPad. Click OK to return to the main CHEMCAD workspace.
For the consolidated report, you can use either Word or Excel. To choose a
program to display and print this report, select Report > Consolidated Report, then
click Report Format at the top of the Consolidated Report menu. This brings up the
Report Format dialog box. Choose whether you want your consolidated report
Output and Reports
results to appear in a Word document or an Excel workbook file, and then click OK
to apply your change.
Stream-based Reports
A number of CHEMCAD reports are available to analyze stream data from a
simulation. To access any of the following reports, select the appropriate item from
the Report menu. The results will display in either WordPad or Excel, depending on
how you’ve configured CHEMCAD to handle text reports.
Note: By default, these reports will use the engineering units you selected when
building this simulation. You can, however, use different flow rate units when
running reports. To change flow rate units for reporting, select Report > Set Flow
Units. In the View Flow Rate Unit dialog box, select the units you want to use and
then click OK. The next time you run stream composition or property reports, the
units that you’ve selected here will be the default setting; you can change the flow
rate units again as needed.
Stream Groups
For stream composition and property reports, you can create custom stream groups
within a simulation to streamline your report requests.
For example, if you have a process that involves ten different feed streams, and
you frequently run reports on this group of streams, you can set up a group
consisting of just those streams. Then, whenever you want to obtain composition or
property data for those streams, you’re just a few clicks away anytime the simulation
is open.
The quickest way to set up any group is to use the CHEMCAD Explorer. Follow
these steps to create a stream group:
1. In the CHEMCAD Explorer pane, find the top‐level item called Groups. Click
the plus sign next to Groups to expand this item.

Figure 8-01: Expanding the Groups item in CHEMCAD Explorer
2. Now right‐click the Streams item under Groups and select New.
Output and Reports

Figure 8-02: Creating a new stream group
3. In the New Group dialog box, replace the default name (such as Group 1)
with a descriptive name for your group, then click OK.

Figure 8-03: Naming the new stream group
4. In the Edit Stream Group dialog box, select the streams for this group, either
by typing in the stream numbers (one per line) or by clicking on streams in
the flowsheet. Click OK to close the dialog box.
5. As soon as you finish creating the group, its name appears under Streams in
the CHEMCAD Explorer. From here, you can right‐click the group name and
select any of the following:
• View/Edit: Open the Edit Stream Group dialog box, where you can add
or delete stream numbers to include in the group.
• Rename: Open the Rename Group dialog box, where you can type a new
name for the stream group.
• Copy: Open the Copy Group dialog box, where you can type a new
group name to make an exact copy of the stream group. After you click
OK, you can then edit the new copy of the group to fit your needs.
• Delete: Remove this stream group from the simulation. If you’re sure
about deleting the group, click Yes in the dialog box that appears.
• Composition: Run an instant stream composition report for the streams
in the group.
Output and Reports
• Properties: Run an instant stream properties report for the streams in the
group.

Figure 8-04: Right-click menu options for custom stream group
Note: The commands to create, edit, and remove stream groups are also offered on
the Report menu, under both Stream Compositions and Stream Properties.
Stream Compositions
You can run a stream composition report based on all streams, or you can specify
which streams to include. To run a stream composition report, select Report >
Stream Compositions and then select from the following options:
• Select Streams: Choose the streams you want to include in the Select Streams
dialog box, either by typing in the stream numbers (one per line) or by
clicking on streams in the flowsheet. Click OK to close the dialog box and
display the report.
• All Streams: This report displays all stream composition data for the entire
flowsheet.
• Feed Streams: This report displays stream composition data only for streams
issuing from a Feed icon on the flowsheet.
• Product Streams: This report displays stream composition data only for
streams terminating in a Product icon on the flowsheet.
Output and Reports
• Unit Streams: This report displays all inlet and outlet stream composition
data for a specified UnitOp on the flowsheet. If no UnitOp icon is selected
when you run the report, you’ll see the Select UnitOps dialog box; type the
UnitOp ID or click the UnitOp on the flowsheet and then click OK to display
the data. If you select a UnitOp icon before running the report, the data will
display without further input.
You can quickly display stream composition for a single stream at any time,
simply by right‐clicking the stream in the flowsheet and selecting View
Composition.
Stream Properties
Before running reports on stream properties, you’ll need to specify which properties
to include. To do this, select Report > Stream Properties > Select Properties. This
opens the View Property Options dialog box, where you can review which
properties are currently selected.
If you want to add any properties, check the appropriate boxes; to remove
properties, click on checked boxes to clear them. If applicable, click the Crude/Solids
tab, and make any changes to the properties on that tab. Click OK to return to the
main CHEMCAD window.
To run a stream properties report for the properties you’ve specified, select
Report > Stream Properties and then select from the following options:
• Select Streams: Choose the streams you want to include in the Select Streams
dialog box, either by typing in the stream numbers (one per line) or by
clicking on streams in the flowsheet. Click OK to close the dialog box and
display the report.
• All Streams: This report displays all stream property data for the entire
flowsheet.
• Feed Streams: This report displays stream property data only for streams
issuing from a Feed icon on the flowsheet.
• Product Streams: This report displays stream property data only for streams
terminating in a Product icon on the flowsheet.
• Unit Streams: This report displays all inlet and outlet stream property data
for a specified UnitOp on the flowsheet. If no UnitOp icon is selected when
you run the report, you’ll see the Select UnitOps dialog box; type the UnitOp
ID or click the UnitOp on the flowsheet and then click OK to display the
data. If you select a UnitOp icon before running the report, the data will
display without further input.
You can quickly display stream properties for a single stream at any time, simply
by right‐clicking the stream in the flowsheet and selecting View Properties.
Output and Reports
Particle Size Distribution

For a particle size distribution report, select Report > Particle Size Distribution. In
the Select Streams dialog box, choose one or more streams for which a particle size
distribution exists (one per line), either by typing in stream numbers (one per line) or
by clicking on streams in the flowsheet. Click OK to display the report.
Pseudocomponent Curves
For a text report on pseudocomponent curves (also known as distillation curves),
select Report > Pseudocomponent Curves. Select one or more streams containing
hydrocarbons, either by typing in stream numbers (one per line) or by clicking on
streams in the flowsheet. Click OK to display the report.
UnitOp-based Reports
CHEMCAD can also run reports to analyze UnitOp data. To access these reports,
select the appropriate item from the Report menu. The results will display in either
WordPad or Excel, depending on how you’ve configured CHEMCAD to handle text
reports.
UnitOp Groups
For the UnitOps report, you can create custom UnitOp groups within a simulation.
Much like their stream‐based counterparts, UnitOp groups can save you time and
effort when requesting reports; in addition, you can use these groups when running
your simulation, to isolate and run only selected UnitOps for diagnostic or other
reasons.
Note: Because of this other functionality of UnitOp groups, the order in which you
list UnitOp IDs when setting up these groups is important.
The quickest way to set up any group is to use the CHEMCAD Explorer. Follow
these steps to create a UnitOp group:
1. In the CHEMCAD Explorer pane, under Groups, right‐click the UnitOps
item and select New.
2. In the New Group dialog box, replace the default name (such as Group 1)
with a descriptive name for your UnitOp group and then click OK.

Figure 8-05: Naming the new UnitOp group
3. In the Edit UnitOp Sequence Group dialog box, select the UnitOps for this
group, either by typing in the UnitOp IDs (one per line) or by clicking on
Output and Reports
UnitOp icons in the flowsheet. Add UnitOps in the order they run in the
simulation. Click OK to close the dialog box.
As soon as you finish creating the group, its name appears under UnitOps in the
CHEMCAD Explorer. From here, you can right‐click the group name and select any
of the following:
• View/Edit: Open the Edit UnitOp Sequence Group dialog box, where you
can add or delete Unit Ops or reorder the existing list.
• Rename: Open the Rename Group dialog box, where you can type a new
name for the group.
• Copy: Open the Copy Group dialog box, where you can type a new group
name to make an exact copy of the UnitOp group. After you click OK, you
can then edit the new copy of the group to fit your needs.
• Delete: Remove this UnitOp group from the simulation. If you’re sure about
deleting the group, click Yes in the dialog box that appears.
• Run: Run the simulation only for those UnitOps included in this group.
• View: Display a summary report of the UnitOps included in this group.
• Specifications: Bring up the UnitOp specification dialog boxes for each item
in the UnitOp group, starting with the first UnitOp listed.
Note: The commands to add, edit, and remove UnitOp groups are also offered on the
Report menu under UnitOps.
Select UnitOps
To run a report that covers just the Unit Ops you specify, select Report > UnitOps >
Select UnitOps. In the Select UnitOps dialog box, specify the UnitOps you want to
include in the report, either by typing in the UnitOp ID s(one per line) or by clicking
on UnitOps in the flowsheet. Click OK to close the dialog box and display the report.
If you select a UnitOp icon before running the report, the data will display
without further input.
Spec Sheet
This command exports detailed information about a UnitOp into a preformatted
Excel worksheet. This report is useful for tasks such as soliciting a manufacturing
quote for a piece of equipment.
• To create a spec sheet for all UnitOps on the flowsheet, select Report > Spec
Sheet > All Units.
• To create a spec sheet only for specific UnitOps, select Report > Spec Sheet >
Select Unit. Choose the UnitOps you want to include in the Select UnitOps
dialog box, either by typing in the UnitOp IDs (one per line) or by clicking on
Output and Reports
UnitOp icons in the flowsheet. Click OK to close the dialog box and display
the spec sheet.
• For a single UnitOp spec sheet, you can select the UnitOp icon before
running the report; Excel will open and the data will display without further
input.
Note: For spec sheets that include multiple UnitOps, CHEMCAD creates a separate
worksheet for each UnitOp’s data within the Excel file that CHEMCAD creates.
Distillation
To run a distillation report, select Report > Distillation and then select one of the
following:
• Tower Profiles: Generates a report detailing temperature, pressure, and flow
rate for a distillation column
• Tray Compositions: Creates a report that shows the vapor flow rate, liquid
flow rate, and K‐value of each component on each stage of a distillation
column
• Tray Properties: Reports on currently selected stream properties for each
stage of a distillation column
• Tower Mass Transfer: For an SCDS distillation column that uses a mass
transfer model, provides mass transfer coefficients, height of transfer units,
and estimated height of theoretical plates (HETP)
• Dynamic Column History: Provides data from a single dynamic run of a
column (described in detail in Chapter 7, Building and Using a Dynamic
Simulation)
• Column Diagnosis: For columns that have not successfully converged,
provides recommendations for changing column settings to achieve
convergence
Flowsheet-based Reports
In addition to reports that focus on particular UnitOps and streams, CHEMCAD
offers text reports that provide information about the simulation as a whole. To
access any of these reports, select the appropriate item from the Report menu.
Topology
This report provides a listing of all UnitOps in the flowsheet, as well as all stream
origins and destinations.
Thermodynamics
This report lists all components used in the simulation and provides vital
information about the thermodynamics methods used.
Output and Reports
Mass and Energy Balances

In addition to mass and energy balances, this report gives the order in which
UnitOps are calculated, calculation modes used, and information about recycle
loops, cut streams, and convergence.
Dynamics Reports
The Report menu provides access to the Batch Results and Dynamics commands,
which provide reports about non‐steady‐stream processes.
Batch Results
This report summarizes the results of a batch distillation column simulation at the
end of each operating step.
Dynamics
You can access three different reports by selecting Report > Dynamics: Dynamic
Column History, Dynamic Stream History, and Dynamic UnitOp History. These
reports are described in detail in Chapter 7, Building and Using a Dynamic Simulation.
Consolidated Report
You can run any combination of the text‐based reports described above as a single
operation, by selecting Report > Consolidated Report. This brings up the
Consolidated Report menu.

Figure 8-06: The Consolidated Report menu
From this menu, you can specify streams, UnitOps, and stream properties to
include; choose flow, composition, and distillation options; and select settings for
heat curves and batch and dynamic options.
To optimize your consolidated simulation report, begin at Select Streams and
click each button in turn, customizing each dialog box with your own settings and
clicking OK to apply your changes. When you have worked your way down the
menu and set all of the options to suit your reporting needs, click Calculate and
Give Results.
Output and Reports
Graphical Reports
In addition to text‐based reports, CHEMCAD offers a wide variety of graphical plots
that you can view onscreen or print for review.
Thermophysical Data Graphs

CHEMCAD offers a number of graphical reports that relate specifically to the
selected components and thermodynamics options. To access any of these plots,
select the appropriate item from the Plot menu.
TPXY
This selection generates vapor‐liquid equilibrium curves between any two
components, with an optional third component. You can include TPXY, TXY, activity
coefficient, and fugacity coefficient curves.
Binary LLE
This selection generates liquid‐liquid equilibrium curves between any two
components.
Binodal Plot
This selection generates a ternary phase diagram showing the distribution of three
selected components in two liquid phases, including tie lines and plait point.
Binodal/Residue Curves
This selection creates a plot that combines the curves from a binodal plot and a
residue curve plot. This is useful when working with heterogeneous azeotropic
distillation.
Residue Curves
This selection generates and plots a graphical display of distillation zones,
azeotropes, and residue curves associated with a user‐specified ternary mixture.
Flowsheet-based Graphs
To view graphical reports that reflect your overall simulation, select one of the
following from the Plot menu:
• Stream Properties: Plots one selected stream property for a selected stream in
the flowsheet
• Phase Envelopes: Plots a phase envelope for a given stream, highlighting the
critical point of the mixture; can include plots at vapor fractions other than 0
(bubble point curve) and 1 (dewpoint curve)
• Composite Curves: Plots composite heat curves for the entire flowsheet, as
well as optional heat curves for individual UnitOps
Output and Reports
• Pseudocomponent Curves: Displays a plot of one or more distillation curves
for a stream
UnitOp-based Plots
CHEMCAD offers several plots that display data for a single UnitOp. To access any
of these plots, select Plot > UnitOp Plots and then select one of the following
options.
Tower Profiles
This selection plots compositions, temperature, and flow profiles for distillation
columns.
Heat Curves
This selection plots heating and cooling curves for a selected heat exchanger.
Plug Flow Reactor Profile

This selection plots the temperature or composition profiles along the axial length of
a kinetic plug flow reactor.
Pipe Profile
This selection plots fluid properties for pipe UnitOps along the axial length of the
pipe. This plot requires that the pipe contain multiple segments.
Controller Convergence
For controllers that have not converged, this plot enables you to diagnose the
controller behavior that is preventing convergence. The plot shows how the
controller error function changes with iteration.
Dynamic Plots
CHEMCAD offers a series of plots for use with dynamic operations. Select Plot >
Dynamic Plots to access any of six graphical dynamics reports.
These plots are described in detail in Chapter 7, Building and Using a Dynamic
Simulation.
User-specified File
If you have customized CHEMCAD using VBA, C++, or other programming
languages, you can save plot data into a text file and use this feature to display that
data as a curve.
Select Plot > User Specified File to bring up a message box that provides
instructions on how to format the text file. Click OK to continue to an Open dialog
box, where you can select the text file you want to use. When you click Open, the
curve is plotted and displayed.
Output and Reports
Printing CHEMCAD Reports

You can print any text report that you produce using CHEMCAD, from within the
program that you have selected to view the report.
The specific printing options differ somewhat from one program to another, but
you can bring up the main Print dialog box in Word, WordPad, or Excel by selecting
File > Print. Each of these programs also offers a Print button on the toolbar for your
convenience.
For graphical reports, you can print directly from CHEMCAD. With a plot
displayed, select File > Print, or click the Print button on the toolbar. Plots are set up
to print in landscape (horizontal) orientation, as this is the best fit for the horizontal
plot layout.
Process Flow Diagrams

CHEMCAD provides easy‐to‐use tools for creating printed process flow diagrams.
You can add various types of databoxes to accompany your flowsheet, and then
selectively view and print groups of items, including databoxes.
Flowsheet Databoxes
CHEMCAD offers four types of databoxes:
• Stream Box: Lists the streams that you select in a single table, along with the
stream properties that you choose to include
• UnitOp Box: Generates a separate databox for each selected UnitOp
• TP Box: Generates separate summary databoxes for selected streams
• Excel Range Box: References a range of cells from an Excel worksheet
Stream Boxes
To create a stream databox, start by selecting Format > Add Stream Box. From the
Select Streams dialog box, follow these steps:
1. Determine which streams to include in the databox, using one of three
methods:
• Check the All streams box to include all streams on your flowsheet, then
click OK.
• Type the numbers of the streams you want to include into the boxes
provided, then click OK.
• Check the Select streams from flowsheet box, click OK, and then choose the
streams you want to include by clicking the actual stream lines with your
primary mouse button. Stream numbers that you select will appear in the
Select Streams dialog box; to toggle a selected stream off, just click it
Output and Reports
again. When you’ve selected all the streams you want, click OK to
continue.
2. Any of these selection methods will bring you to the Databox Property
Options dialog box. Here, you can select which stream properties you want
to include on the stream databox. You can keep the default settings, or turn
any check box on or off to customize your databox.
Note: The selections you make here will be the default selections the next time you
create a stream databox for this simulation.
In addition to the main General tab, note the Crude/Solid tab, which you can
click to select crude oil stream properties or solid stream properties. When
you’ve selected the stream properties you want, click OK to continue.
3. In the Databox Settings dialog box, you can choose the font style and size for
your databox text, as well as whether to include horizontal lines or horizontal
section dividers in the databox. Click OK to place the databox on your
workspace.
As with flowsheet elements, you can move, stretch, or resize a databox using
your mouse.
UnitOp Boxes
The procedure for creating UnitOp databoxes is similar to that used to create stream
databoxes, with the chief difference being that there is no selection of UnitOp
properties.
Begin by selecting Format > Add UnitOp Box, and then either enter UnitOp IDs
or check the box to select UnitOps from the flowsheet. Note that you don’t have the
option of automatically including all UnitOps, as you did with streams.
When you complete your selections and click OK, the Databox Settings dialog
box appears, with the same formatting options that are available for stream
databoxes. Change any settings you want here, and then click OK to place the
requested databoxes on your workspace.
Unlike a stream databox, which displays data for multiple items in a single box, a
UnitOp databox displays data only for a single UnitOp. If you selected three
UnitOps in the UnitOp IDs dialog box, you’ll see three separate databoxes appear
when you click OK. If you see only one databox at first, try moving that box to
another part of the screen to see if the others are hidden behind it.
TP Boxes
CHEMCAD can create databoxes, called TP boxes, which display any combination of
temperature, pressure, and flow rate for all streams or selected streams on a
flowsheet.
Output and Reports
To add TP databoxes, select Format > Add TP Box. In the TP Box Settings dialog
box, first select an option at the top, to determine whether to add TP boxes for all
streams or only for the streams you select.
In the Display column, select items from the drop‐down list in each field to
determine which stream properties to display and in what order. Use No selection
as appropriate if you want to display fewer than four properties.
In the Number format column, make a selection in each field to determine how
numbers will display in the TP boxes. In the Digits column, type the number of
digits to display after the decimal point. You can also change the font style and size
for the TP box text, and choose whether to display stream IDs and engineering units.
The Preview box displays a dynamic sample of how the items you’ve selected
will appear in the TP boxes. Note that the preview area does not reflect changes you
make to the font size.
When you finish making your selections in the TP Box Settings dialog box, click
OK. If you’ve chosen to make TP boxes for all streams, the TP boxes will appear on
the flowsheet right away. If you’ve opted to select the streams from the flowsheet,
you’ll see a Select Streams dialog box; type the stream numbers (one per line) or click
on the stream lines in the flowsheet to select streams, and then click OK to create the
TP boxes.

Figure 8-07: TP boxes added to a simple flowsheet
Excel Range Boxes

An Excel range box displays dynamic data from a specified cell range in a specified
Excel worksheet. To create an Excel range box, follow these steps:
1. Start by selecting Format > Add Excel Range. This brings up the Excel
Databox Settings dialog box.
2. Click Browse to navigate to the folder where the Excel workbook resides,
then highlight the name of the workbook you want and click Open.
Output and Reports
3. In the Worksheet name field, type the name of the relevant worksheet within
the workbook that you’ve indicated.
4. In the center portion of the dialog box, specify the starting and ending
column and row coordinates that you want to reference within the selected
worksheet.
5. In the lower portion of the dialog box, change any formatting settings as
desired and then click OK to create the databox.
An Excel range box is a dynamic link between CHEMCAD and the Excel
worksheet. As data is updated and saved in the selected cell range, the range box can
automatically update to reflect those changes. To view the most up‐to‐date data in
your Excel range boxes at any time, select View > Refresh Data Boxes.
Using the Layers Feature for Selective Viewing and Printing

When you create a simulation in CHEMCAD, you can build your flowsheet across a
huge workspace, zooming in and out as needed to work with specific areas of the
flowsheet. You can also, as described above, add any number of databoxes to
provide a quick visual reference for the data behind your flowsheet objects. You can
add text labels, draw circles around items that you need to work on further—in
short, there’s practically no end to the visual clutter that could end up on your
process flow diagram. But all of these elements are useful to someone, and you
certainly don’t want to spend your time repeatedly adding or removing visual
elements before printing or sharing a PFD.
CHEMCAD’s solution to visual‐element overload is a feature called Layers. A
layer is a group of objects in a simulation file—any combination of databoxes, drawn
shapes, text labels, streams, and UnitOps—that you can view or hide with a single
click. You define exactly which objects belong to a layer, and then toggle each layer
either on (visible) or off (hidden) using the CHEMCAD Explorer.
Note: Turning off a layer does nothing beyond hiding the associated objects from
view. Having a layer hidden—even if that layer includes streams and UnitOps—
does not in any way affect the way the simulation runs or any stream or UnitOp
properties.
Scenarios for Using Layers

The following are examples of situations in which you can use layers to enhance
your process flow diagrams:
• Several different departments need to review your process flow diagram, but
each department wants to see different data highlighted in databoxes. You
can create one set of TP boxes listing only flow rates, for example, and then
assign them all to a layer; then hide that layer and create a new set of TP
boxes listing temperature and pressure only. Assign these databoxes to their
own layer, hide it, and continue with stream boxes, UnitOp boxes, or
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whatever other items you need. Create as many different layers as you like,
and each time you go to print the diagram, view only the layers that you
want to print.
• You need to e‐mail a simulation to different recipients who want to view
different databoxes. Create sets of databoxes assigned to multiple layers, and
then view just the layers that you want your first recipient to see upon
opening the file. Save and close the simulation before attaching it to an e‐mail
message. Open the simulation again for the next recipient, select the layers
you want that person to see, save the file, and attach it to another e‐mail
message.
• You have a very large flowsheet that encompasses a number of discrete
processes. You can create separate layers for various portions of the overall
flowsheet, and view only the portions you’re working with at a given time.
You can also hide unneeded portions of the flowsheet for printing.
• If you are troubleshooting a process, or for whatever reason need to “mark
up” a process flow diagram, you can draw shapes such as ellipses or
rectangles around certain UnitOps or groups of UnitOps, using text or bright
colors to draw extra attention. Then assign all of these mark‐up items to a
single layer so that you can choose to view either the marked‐up version or
the “clean” version of the flowsheet at any time.
Creating a New layer

By default, all objects are assigned to a master layer, which is always visible. Before
you can assign objects to another layer, you must first create a new layer to use. The
most convenient way to create a layer is within the CHEMCAD Explorer pane.
In the CHEMCAD Explorer, find the top‐level item called Layers, right‐click it,
and select New.

Figure 8-08: Creating a new layer
In the New Layer dialog box, replace the default layer name with a descriptive
name of your own and then click OK.
Output and Reports

Figure 8-09: Naming the new layer
The new layer now appears under the Layers item in CHEMCAD Explorer. If
necessary, click the plus sign next to Layers to view the layer name. You can add as
many layers as you like and view the complete list here.
When a layer is first created, it is visible by default. A layer’s status as visible or
hidden is indicated in CHEMCAD Explorer by the icon that displays next to its
name. A visible layer shows a green check mark, while a hidden layer is gray in
color.

Figure 8-10: Visible and hidden layers as they appear in CHEMCAD Explorer
Assigning Objects to a Layer

Now that you have layers, you can assign items to them. Start by clicking an object
to highlight it; this might be anything from a stream ID label to a UnitOp to a TP
box. Whatever type of object it is, when you highlight it you’ll see the four black
boxes that define its outer edges. With the object selected, right‐click the name of the
desired layer in the CHEMCAD Explorer and choose Add Selected.
To save time, you can add multiple objects to a layer at once. Just hold down the
[SHIFT] key as you click each object in turn, then right‐click the layer name and
choose Add Selected.
Note: If you like, you can assign one or more objects to a layer at the same time you
create the layer. To do this, simply click the desired object (use the [SHIFT]‐click
method for multiple objects), then right‐click Layers, select New, and assign the
layer a name. The selected objects are automatically assigned to the new layer.
Output and Reports
Hiding and Viewing Layers

As soon as you’ve added at least one object to a layer, you can test the layer by
hiding it and watching what happens. To hide a layer, simply click the green check‐
marked icon next to that layer’s name; the icon should change to gray and all items
assigned to the layer should disappear from view.
At any time, you can hide or view each layer in your simulation independently.
The icons next to the layer names in the CHEMCAD Explorer provide a constant
reminder of which layers, if any, are currently hidden from view.
Each time you open a simulation file, CHEMCAD displays or hides its layers
according to the way they were set the last time you saved the simulation.
Note: It is possible for an object to be assigned to more than one layer. If an object is
assigned to two or more layers, however, it will be displayed unless all of its
associated layers are hidden.
Removing an Object from a Layer

If you no longer want a specific object or group of objects to be assigned to a given
layer, you can remove the assignment as easily as you created it.
First ensure that the layer in question is visible. Then select all the objects that
you want to remove from the layer, right‐click the layer name in CHEMCAD
Explorer, and choose Remove Selected. Now when you hide the layer, the object or
objects you removed should remain in view.
Deleting an Entire Layer

If for any reason you want to remove a layer from your list, simply right‐click the
layer’s name in CHEMCAD Explorer and select Delete. The layer disappears from
the list, and if the layer was hidden when you deleted it, the items assigned to it now
reappear.
Printing a Process Flow Diagram

When you use the Print command on the main CHEMCAD screen, the result is a
verbatim reproduction of your visible workspace.
If you’re zoomed close in to one portion of your flowsheet when you print, you’ll
get a close‐up printout that does not include the rest of the flowsheet. If you’ve
hidden all of your databoxes to keep them out of your way while you fix a problem,
those databoxes will not appear on the printout. If the Palette pane is covering up the
product streams coming from one of your UnitOps, those product streams won’t be
on the printout either.
For this reason, the first thing you should do when you’re ready to print a
process flow diagram is to decide what needs to be included on the printout. If you
need the entire flowsheet to appear on the printed diagram, select View > Zoom
Options > Zoom to Fit, or zoom manually if you prefer. You may want to hide or
Output and Reports
unpin one or more panes as well, to give yourself more workspace while you
prepare to print.
Next, consider whether your process flow diagram should display a job box,
UnitOp or stream databoxes, text notes, or other items in addition to the flowsheet
itself. If you have already created the needed items, make sure that they are
currently visible and placed where you want them.
When all of the items you want to print are visible, check once more to ensure
that everything falls within the CHEMCAD workspace. Then select File > Print, or
click the Print button on the toolbar. This brings up the Print Setup dialog box,
where you can select printing options or simply click OK to print the process flow
diagram.
Output and Reports
Chapter 9
Customizing CHEMCAD
As you become more familiar with the way that CHEMCAD works and the various
options and tools that are available, you may find yourself wishing that you could
make your own additions—either for specialized items or for those you use
frequently. You can in fact customize CHEMCAD in several ways that save you time
by streamlining and simplifying your workflow. These include:
• Creating stream and UnitOp templates
• Adding custom components to CHEMCAD’s component database
• Making your own symbols and adding them to the UnitOps palette
• Building custom UnitOps
• Creating custom dialog boxes for UnitOp settings
• Defining custom thermophysical rules
This chapter discusses all of these types of customization, starting with the
simplest procedures and then moving on to more complex customizations that
require some programming experience.
Flowsheet Templates
One of the most effective ways to save time when creating CHEMCAD simulations
is to make use of stream and UnitOp templates. A template is simply a set of
characteristics, which you assign a name and save for later use. When you set up
stream or UnitOp specifications that you know you’ll need to recreate in the future,
you can create a template of that stream or UnitOp. You can then duplicate that item
within the same simulation—or in any other simulation—with just a few mouse
clicks.
Customizing CHEMCAD
Creating a Template
To create a stream template, first create the stream you want to clone and give it all
of the characteristics you want to include in the template.
Then find this stream on the CHEMCAD Explorer’s Simulation tab. Expand the
Flowsheet item, then expand the Stream item, and finally double‐click the
applicable stream ID. This brings up an item called Save. Double‐click the word
Save to bring up the Enter Template Name dialog box, then type a name for your
new stream template and click OK. The new stream name is now listed beneath the
Save item.
To create a UnitOp template, select the appropriate UnitOp ID in CHEMCAD
Explorer, and then follow the same procedure used to create a stream template.
Viewing a Template’s Properties

To see what specifications an existing template includes, look it up in the
CHEMCAD Explorer. Expand the Templates item, then expand the UnitOps item,
and finally expand the name of the relevant UnitOp type. For example, if you’re
looking up a template that you created for a type of pump that you frequently use,
expand the Pump item in the CHEMCAD Explorer.
When you find your template, simply click the template name to open its
specifications dialog box.
Applying a Template
To apply a stream template, first expand the CHEMCAD Explorer item for the
stream in question, either by clicking the plus sign to its left or by double‐clicking the
stream name.
When the stream item is expanded, you’ll see the Save item below it, followed by
the names of all the stream templates that you have created. Double‐click the name
of the template you want to use, then click OK to confirm that you want to apply
this stream template.
Renaming or Deleting a Template

To rename a template, simply find it under Templates in CHEMCAD Explorer,
right‐click the template name, and select Rename. Type the new name and click OK.
This changes the template name throughout CHEMCAD Explorer.
The procedure for deleting a template is similar to renaming a template. Again,
find the template you want under Templates, right‐click its name, and select Delete.
Click OK to confirm that you want to delete this template. The template name
disappears from CHEMCAD Explorer, but streams or UnitOps that were specified
using the template are not affected in any way.
Customizing CHEMCAD
Note: Any stream or UnitOp template that you create is available for use with all
other simulations on the same installation of CHEMCAD, until and unless you
delete the template.
Creating Custom Components

The CHEMCAD component database places detailed information about thousands
of chemicals at your fingertips. If for any reason you find that you need to use a
chemical component that does not match any item currently in the CHEMCAD
database, you can create your own component for use with your simulations.
You can create a single component, define a range of pseudocomponents, or
import a component’s physical properties from an external source. These procedures
have similar aims, but differ significantly from one another.
Adding a Single Component

Creating a pure component in the CHEMCAD component database is a two‐part
task. You must first create the component and then regress data into the component.
Creating the Component

To create a new custom component, you can use any of five different estimation
methods:
• Create a hydrocarbon pseudocomponent. This is treated like a pure
component in that certain aspects of how it behaves or reacts are known.
• Use the Joback/Lyderson method. With this method you indicate basic
characteristics, and select molecular groups (known as Joback groups, called
Group Assignments in CHEMCAD) from a list, to indicate how many of each
molecular group are present in the component.
• Use the UNIFAC method. This method is identical to Joback/Lyderson,
except that the group list is more specialized toward organic components.
• Create a combustion solid. This method is used to simulate solid
components for which an elemental analysis and heating value are known,
e.g., coal.
• Create an electrolyte component. This method creates a component that you
can subsequently use in an electrolyte simulation.
The procedure for creating a pure component is as follows:
1. Select Thermophysical > Component Database > Create New Component.
This brings up the New Component dialog box.
Customizing CHEMCAD

Figure 9-01: The New Component dialog box
2. Give the new component a descriptive name; it is strongly recommended that
you make this name unique. All other characteristics here are optional, except
for normal boiling point, which is required for the pseudocomponent
method.
3. Select a Correlation option to indicate which of the above methods you will
use, and click OK to continue.
4. In the resulting dialog box, select the appropriate options for your new
component and specify as many characteristics as you like, as accurately as
possible. Click OK to continue.
5. In the Select Destination Database dialog box, you will see no databases listed
if this is your first time to add a component. If this is the case, click New to
bring up the Manage Component Databases dialog box.
6. Normally, you’ll need to click Add New, which brings up the Save As dialog
box. Navigate to the location you want for your custom component database,
give the database a name, and click Save. If you want to add a database that
someone else has created (generally in a network location), you can click Use
Existing, which brings up an Open dialog box; navigate to that database’s
location, highlight the database, and click Open.
7. The Manage Component Databases dialog box now lists the database that
you created or selected. Click OK to continue.
8. In the Select Destination Database dialog box, the new database you have just
named is now listed; highlight it and click OK.
9. The View/Edit Component Data menu now appears. Click any item on the
menu to access a dialog box with options for defining your new component.
After defining as many characteristics as possible, click Exit to close the
menu.
Customizing CHEMCAD
The new component is now available to add to your current simulation and all
future simulations. To return at any time to make changes to a user‐defined
component, do one of the following:
• Select Thermophysical > Component Database > View/Edit Component to
bring up the Select Single Component dialog box, which lists all available
components. Highlight the component you want in the list and click OK to
bring up the View/Edit Component Data menu.
• Click Component List on the toolbar to bring up the list of components in the
current simulation. Double‐click the component you want in the list to bring
up the View/Edit Component Data menu.
Regressing Data into the Component

Data regression is the process of fitting experimental data points to a polynomial
equation form, so that the individual error of each data point is minimized.
Data regression is only relevant to temperature‐dependent properties such as
heat capacity, density, and vapor pressure. CHEMCAD uses these polynomial
equation fits to calculate the properties of a component at any given temperature.
To regress data into a component that you have created, follow these steps:
1. Select Thermophysical > Component Database > Component Property
Regression. This brings up the Regress Component Properties menu.

Figure 9-02: The Regress Component Properties menu
2. Click the menu item that corresponds to the type of regression data you want
to enter.
3. In the Select Single Component dialog box, select the user‐added component
that you want to regress and click OK.
4. In the resulting dialog box, enter the required parameters (listed in green
text) and any other parameters as appropriate, then click OK.
Customizing CHEMCAD
5. In the resulting dialog box, enter your experimental data points in the cells
provided. You can enter a value in the Weight_factor column to weight the
regression toward one or more data points. Click OK to continue.
Note: You can paste a contiguous range of cells from an Excel worksheet into the
cells in this dialog box.
6. The regression data is displayed in a tabular format for review. When you are
ready to view the regression curve, close the WordPad or Excel window.
7. The regression results now display in graphical format. Review the plot and
decide whether the regression adequately represents your experimental data.
In the Apply Component Changes dialog box, either choose an option and
click Save or abandon your regression changes by clicking Don’t Save.
8. Repeat this procedure as needed to regress other properties for your
component, and then click Exit to close the Regress Component Properties
menu.
Pseudocomponent Range
Using a pseudocomponent curve—another term for the distillation curve portion of an
assay—you can cut a hydrocarbon stream into pseudocomponents, or fractions. A
pseudocomponent represents a group of components that boil within a narrow
temperature range. Pseudocomponent ranges are used in CHEMCAD to model
hydrocarbons.
When you define a pseudocomponent range for a stream, CHEMCAD creates
entries in the component database for each hydrocarbon cut, and assigns these
components’ compositions to the stream.
Note: Before you define a pseudocomponent range, make sure that you have
specified in your component list, as appropriate, water and any light ends that exist
in the assay.
1. Select Thermophysical > Pseudocomponent Curves.
2. In the Dist Curve Characterization dialog box, enter stream number(s) and
click OK.
3. In the Hydrocarbon Correlation dialog box, select the appropriate
correlations for your curve, or use the default selections and click OK.
4. This brings up the Curve Temperature Cut Ranges dialog box. For each cut
range that you want to define, provide a beginning and ending temperature,
and enter the number of points that you want to define as discrete
pseudocomponents within that range. Click OK to continue.
Customizing CHEMCAD
5. In the Bulk Properties dialog box, specify a distillation curve type and enter a
total flow rate and bulk gravity for the stream. You can make other entries
here as needed, but only these three items are required. Click OK to continue.
6. In the resulting dialog box, enter the distillation curve from your assay,
specifying the volume percentage and boiling temperature for at least five
data points. Click OK to continue.
7. The next dialog box is optional. Enter a gravity curve from your assay,
specifying the volume percentage and gravity for at least five data points.
Click OK to continue.
8. The next dialog box is also optional. If you have light ends and water defined
in your assay, enter volume percentage data here for all relevant components.
Click OK to continue.
9. This brings up the Edit Distillation Curves menu, shown in Figure 9‐03.

Figure 9-03: The Edit Distillation Curves menu
10. Click Save and Exit. This brings up a tabular listing of pseudocomponent
properties. You can review and print these results if you like, or simply close
the document displaying them to return to the CHEMCAD workspace.
11. To see the list of pseudocomponents that you have created, edit the
properties for the stream you selected. The pseudocomponents will be listed
after pure components, with names that begin with NBP.
Importing a Neutral File

You can also add a component to the database by importing its physical properties
from an external data source. This procedure is known as neutral file import.
For detailed information about importing and using a neutral file, see the
CHEMCAD Help system.
Customizing CHEMCAD
Creating a Custom Symbol

You can create a custom symbol in CHEMCAD, for use with either a built‐in UnitOp
or a user‐defined UnitOp. The tool used to create symbols is called the CHEMCAD
Symbol Editor.
You can launch the Symbol Editor in either of two ways:
• Within CHEMCAD, select Edit > Edit UnitOp Symbols.
• From Windows, select Start > All Programs > Chemstations > Utilities >
Symbol Editor.
Once the editor is open, you’ll see a gridded workspace and a small, free‐floating
tool palette.

Figure 9-04: The Symbol Editor’s workspace and palette
You can build a symbol from the ground up, but the best way to learn to use this
tool is to edit an existing CHEMCAD UnitOp symbol. To do that, follow these steps:
1. Select File > Open from the Symbol Editor menu. In the Open dialog box,
select a file from Symbols directory and click Open. The selected symbol
opens in the Symbol Editor workspace, as shown in Figure 9‐05.
Customizing CHEMCAD

Figure 9-05: The pump_1.sym file open in the Symbol Editor workspace
2. Select File > Save As and save the file in a different directory, using a
distinctive name to avoid confusion with the original symbol.
3. Use the tools available in Symbol Editor to change the symbol as needed:
• To remove or alter any existing part of the symbol, select Structure >
Ungroup to break the symbol into its individual components.
• To add graphical components to the symbol, use the drawing tools on the
tool palette, such as Rectangle and Ellipse.
• To add a text label to the symbol, use the Text tool.
• To add an inlet or outlet, click the appropriate item on the tool palette
and then click to place the inlet or outlet on the symbol.
• To back out of a change that you’ve made, select Edit > Undo or press
[CTRL‐Z].
4. When you’re ready to save the symbol, make sure that you have deleted any
unwanted items on the workspace. Select Edit > Select All or press [CTRL‐A],
and then select Structure > Group.
5. Select File > Save to save the changes to your new symbol.
To create a totally new symbol, simply start from a blank workspace, name the
file, and use the various drawing tools to create the desired combination of shapes
and text. Add inlets and outlets as needed, then group the symbol’s components and
save the file.
Once you’ve created your new symbol, you need to associate it with a UnitOp
type and then add it into the appropriate UnitOp subpalette.
1. Within the Symbol Editor program, select File > Edit UnitOp Type. The
Select Unit Operation Type dialog box appears.
Customizing CHEMCAD

Figure 9-06: The Select Unit Operation Type dialog box
2. Select the appropriate UnitOp type and click OK.
3. To assign the new symbol to a UnitOp palette, select File > Add to
CHEMCAD Palette.
4. Close and restart CHEMCAD to see your new symbol appear on the
specified subpalette.
Customized Costing Calculations

CHEMCAD includes some very basic costing routines to help determine the capital
cost of equipment. Using a simplified form of C known as the Parser language, you
may modify these routines to better suit your needs.
Costing calculations are defined by a programming language called Parser, the
syntax for which is documented in the CHEMCAD Calculator/Parser Module guide,
available on the Chemstations web site.
Creating Custom UnitOps

If you need a UnitOp that falls outside the range of options offered on the All
UnitOps palette, you can create a custom UnitOp. The goal of creating a custom
UnitOp is to have a unit where you can enter your own equations to calculate heat
and mass balances. Over the years, CHEMCAD users have created custom UnitOps
for purposes as diverse as membrane separation units, fuel cells, specialized solids
handling units, and crystallizers for the separation of xylenes.
Four items on the All UnitOps palette are dedicated to user‐defined UnitOps.
You can create a custom UnitOp using any of the following four ways:
• Excel UnitOp: Created through a combination of the COM interface and the Data
Map interface
• Calculator: Created using an inline C program
• User‐added module: Created using Visual Studio or another C++ compiler
• VBA UnitOp: Created through the VBA Editor, which is part of CHEMCAD
The basic procedures for creating custom Excel UnitOps are covered in Chapter
10, Data Interfaces. Calculator UnitOps are defined by a programming language
Customizing CHEMCAD
called Parser, the syntax for which is documented in the CHEMCAD Calculator/Parser
Module guide, available on the Chemstations web site.
C++ user‐added modules are developed using Microsoft’s Visual C++
development tool, the same tools that were used in the creation of CHEMCAD’s own
UnitOps. The procedures for creating C++ user‐added modules for use with
CHEMCAD are detailed in the User‐added Modules Guide, which is also available on
the Chemstations web site.
VBA UnitOps are defined by VBA subroutines, and are described later in this
chapter.
The method you choose is an important first step toward creating a UnitOp, but
the choice is almost entirely up to you. Calculator UnitOps can be quick and easy to
set up, but they can’t do everything the other methods can. The Excel/Visual Basic
approach is very powerful and uses the familiar Visual Basic language for
development. A drawback to this method is that calculation can sometimes be slow
due to the use of Microsoft Excel to do the calculations. The most powerful and
fastest calculating method is the C++ user‐added module method, but if you are new
to C++, it may be challenging to use. VBA UnitOps are as powerful as those created
using C++, and are much easier to build.
Whichever method you use to program the calculations of your UnitOp, you will
likely need to create a dialog box to provide a user interface. A dialog box enables
users to send information into your UnitOp, for example the number of stages for a
distillation UnitOp. No matter what method you use to program your UnitOp, you
will use the Dialog Editor program to create the user interface.
Creating a Custom UnitOp Dialog Box

CHEMCAD uses dialog boxes to set variables for all types of UnitOps. Using the
Dialog Editor program, you can create a custom dialog box for use with any type of
user‐added units.
You can also edit an existing UnitOp’s specification dialog box—for example to
add text notes, to translate from English to another language, or to limit the UnitOp’s
functionality—although this is not commonly done.
The Dialog Editor program enables you to create and modify dialog boxes,
which are controlled by files with the .MY extension. These files, along with .MAP
files and .LAB files, define dialog boxes for use in CHEMCAD.
To use the Dialog Editor program, you’ll need a good understanding of
Windows, along with a basic knowledge of Visual Programming concepts such as
objects and properties. You should also have a firm understanding of simulation in
CHEMCAD before venturing into Dialog Editor.
The Dialog Editor program is separate from CHEMCAD. To launch it, select
Start > All Programs > Chemstations > Utilities > Dialog Editor.
Customizing CHEMCAD

Figure 9-07: The Dialog Editor window showing an open dialog
A detailed description of how to use the Dialog Editor is available on the
Chemstations web site under Support > Manuals, as well as on the CHEMCAD
installation CD‐ROM.
Customizing Thermodynamics
Occasionally, you may find that none of the thermodynamic models built into
CHEMCAD serve your needs for a particular simulation. If this should happen, you
can take one of two approaches to handling thermodynamics for the simulation:
either create your own K‐value or enthalpy model or create your own mixing rule.
Creating a Custom K-value or Enthalpy Model

The K‐value for any component is a ratio that reflects the amount of that component
present in vapor and liquid phases under given conditions. CHEMCAD uses K‐
values to calculate vapor‐liquid equilibrium in streams and in UnitOps.
An enthalpy model calculates the heat content of a system under given
conditions. Enthalpy models are used to calculate the heat balance in CHEMCAD
simulations.
If you have a K‐value or enthalpy method that you’d like to use, you can write
C++ code to introduce your model into the CHEMCAD system. To build a custom K‐
value or enthalpy model using C++, navigate to the following directory to find and
open the usradd.dsw workspace:
C:\Program Files\Chemstations\CHEMCAD\User Added Modules\usradd
Customizing CHEMCAD
This workspace includes examples of UnitOps, K‐ values, enthalpy models, and
mixing rules.
A detailed description of how to create custom K‐values and enthalpy models is
available on the Chemstations web site under Support > Manuals, as well as on the
CHEMCAD installation CD‐ROM.
When you’ve successfully added a custom K‐value method, you can select it on
the K‐value Models tab of the Thermodynamic Settings dialog box, by using the
Global K‐value Option setting called ADDK.

Figure 9-08: Selecting the ADDK K-value option
After adding a custom enthalpy model, you can select it on the Enthalpy Models
tab of the Thermodynamic Settings dialog box, by using the Global Enthalpy Option
setting called ADDH.

Figure 9-09: Selecting the ADDH enthalpy model
Customizing CHEMCAD
Creating a Custom Mixing Rule

A mixing rule determines how CHEMCAD calculates the properties of a mixer,
based on the properties of its pure components. You can create custom mixing rules
for any of the selections listed on the Transport Properties tab, either using VBA as
described in the following section or using C++.
To build custom mixing rules using C++, navigate to the following directory to
find and open the usradd.dsw workspace:
C:\Program Files\Chemstations\CHEMCAD\User Added Modules\usradd
This workspace includes examples of UnitOps, K‐ values, enthalpy models, and
various mixing rules.
A detailed description of how to create mixing rules using C++ is available on the
Chemstations web site under Support > Manuals, as well as on the CHEMCAD
installation CD‐ROM.
Visual Basic Applications (VBA)

You can customize CHEMCAD using Visual Basic Applications, or VBA. The
CHEMCAD Explorer’s Visual Basic tab provides access to the following types of
customizable items:
• Reactions
• Properties
• UnitOps
If you have written code in VBA that you would like to make available in
CHEMCAD, you can insert that code into one of the templates that CHEMCAD
provides, or use any of these templates as a starting point and launch a VBA editor
from within CHEMCAD.
Defining a Reaction, Mixing Rule, or UnitOp

To define a custom reaction, mixing rule, or UnitOp using VBA, follow these steps:
1. Click the Visual Basic tab in CHEMCAD Explorer and expand the relevant
item: Reactions, Properties, or UnitOps.
2. Double‐click the relevant template item to open the VBA editor.
3. Copy the existing subroutine and paste the code below the example in the
code window. Rename the new subroutine copy.
4. Edit the new subroutine as needed to achieve the result that you want.
5. Return to CHEMCAD by either of two methods:
• Use [ALT‐TAB] or the Windows taskbar, leaving the VBA editor window
open.
Customizing CHEMCAD
• Click the View CHEMCAD button at the far left end of the VBA editor’s
toolbar to close the editor window.
Note: You can also use the [ALT–F11] key combination to toggle between CHEMCAD
and the VBA editor.
6. Save the current CHEMCAD simulation, then expand the relevant
CHEMCAD Explorer item again to see your newly defined item in the list.
Using a VBA-defined Reaction

Once you have defined a new reaction, you can use it for a kinetic or batch reactor:
1. Select the Batch Reactor or Kinetic Reactor tool and place a reactor icon on
the flowsheet. Add and specify streams for this UnitOp as appropriate.
2. Double‐click the icon to define reactor specifications. Make the following
selection to use your VBA‐defined reaction.
• Batch reactor: After specifying the reactor’s initial charge, you’ll see the
Batch Reactor General Information dialog box. On the General tab, select
the kinetic rate expression option called Define each reaction.
• Kinetic reactor: On the General Specifications tab of the Kinetic Reactor
dialog box, select the kinetic rate expression option called Define each
reaction.
3. For each reaction that you define, you’ll enter data into a Kinetic Data dialog
box. Choose the Kinetic Rate Expression option called User – VBA. This
brings up a drop‐down list to the right of the Kinetic Rate Expression field,
where you can choose a user‐defined reaction. Select the appropriate option
for each reaction that you define for this UnitOp, and then click OK to
continue to the next reaction.

Figure 9-10: Selecting a VBA-defined reaction in the Kinetic Data dialog box
Customizing CHEMCAD
4. When you have defined the last reaction, click OK to return to the main
CHEMCAD window.
Using a VBA-defined Mixing Rule

Once you have defined a new mixing rule, you can include it in your CHEMCAD
simulations:
1. Select Thermophysical > Thermodynamic Settings.
2. In the Thermodynamic Settings dialog box, drop down the list of options for
the mixing rule that you used as a template for your new rule. Select your
rule from the list.
3. Click OK to return to the main CHEMCAD window.
Using a VBA-defined UnitOp

Once you have defined a new VBA UnitOp, you can include it in your CHEMCAD
simulations:
1. Select the Visual Basic UnitOp tool and place an icon on the flowsheet. Add
streams into and out of the UnitOp as you normally would.
2. Double‐click the icon to define the UnitOp’s specifications.
3. In the Visual Basic UnitOp dialog box, drop down the Function list to see the
available VBA UnitOps. Select the one you want to use and click OK.

Figure 9-11: Selecting a VBA UnitOp
Chapter 10
Data Interfaces
CHEMCAD enables you to exchange data with other programs through a variety of
methods. This saves time, effort, and the potential for keystroke error and data
omissions. In some cases, these data interfaces can enable CHEMCAD to link
directly into your plant information systems to run simulations without human
intervention.
The data interfaces that CHEMCAD uses are as follows:
• The Excel Data Map interface, which can link any value in a CHEMCAD
simulation to any cell in an Excel worksheet, or vice versa (note that running
CHEMCAD simulations from Excel requires a COM interface, described
below)
• The Visual Basic Application interface, which enables you to build custom
reactions, mixing rules, and UnitOps
• The OPC interface, which permits any OPC Client application to access
values in a CHEMCAD simulation
• COM interfaces, which allow any COM‐enabled program (such as MATLAB)
to access and control a CHEMCAD simulation
Excel Data Mapping

The Excel Data Mapping feature allows you to link, retrieve, and insert data from an
Excel spreadsheet into a CHEMCAD simulation. It also lets you insert data from a
CHEMCAD simulation into an Excel spreadsheet with just a few clicks. The
integration of CHEMCAD and Excel is a powerful and easy‐to‐use tool that saves
you time and work.
Data Interfaces
With Excel Data Mapping, you can quickly and easily get the most of
CHEMCAD/Excel integration, even if you have no experience with Visual Basic or
Excel programming. In fact, you can use and benefit from this feature even with very
little knowledge of the Excel program.
To use Excel Data Mapping, you must first create one or more Data Maps, and
then set up rules for the execution of each Data Map in use.
Creating an Excel Data Map

The tool used to create and edit Data Maps in CHEMCAD is the Excel Data Map
Editor. This tool displays within the CHEMCAD workspace, and resembles an Excel
spreadsheet. It has all you need to link stream and UnitOp parameters to one or
more Excel spreadsheets. On each Excel Data Map, you can link up to 500
parameters in a single spreadsheet, and you can have up to ten Data Maps per
simulation.
To link your simulation to an Excel spreadsheet, first create the target Excel
workbook, making a note of the file’s name, its location, and the name of the specific
worksheet to which you want to link. Then follow these steps to create a new data
map:
1. On the CHEMCAD Explorer, expand the Data Maps item and then click
New Data Map. A spreadsheet will open within the CHEMCAD workspace.

Figure 10-01: The Excel Data Map Editor
2. Click the Browse button and locate the target workbook. Select the workbook
file and click Open.
3. In the cell next to Excel Worksheet Name, type the name of the worksheet to
which you want to link your simulation.
Data Interfaces
Note: If you need to verify the name of the worksheet, you can click the Open button
to launch Excel and view the workbook.
4. Click the cell below Map Rule to highlight that cell. Click again to see a drop‐
down list of mapping options:
• To Worksheet Only enables you to send data from streams or UnitOps in
CHEMCAD to the selected worksheet.
• To CC Only enables you to send data from any cell on the worksheet to
the selected stream or UnitOp parameter in your simulation.
• For data reconciliation enables you to manipulate the data with CC‐
RECON. Use of this option requires a license for the CC‐RECON module.

Figure 10-02: Selecting a Map Rule option in the Excel Data Map Editor
5. Click the cell below CC Obj Type to highlight that cell. Click again to see a
drop‐down list of mapping options:
• Stream enables you to link an Excel cell or cell range to a stream on the
flowsheet.
• UnitOp enables you to link an Excel cell or cell range to a UnitOp on the
flowsheet.
• Misc enables you to change dynamic flowsheet settings.
6. Click the cell below CC Obj ID. Type the ID number of the stream or UnitOp
to which you want to link.
7. Click the cell below Par ID to highlight that cell. Click again to see a drop‐
down list of parameters for the selected UnitOp or stream. Scroll down and
select an option from the list.
Note: When you are importing cell data into CHEMCAD, the list of parameter
options is limited, as many values in a CHEMCAD simulation are calculated based
on other values.
Data Interfaces
8. If you chose a parameter that is related to a specific component (e.g., Comp
Mole fraction, or any item marked with an arrow), you will need to specify the
component. Click the cell below Component to highlight that cell, and click
again to see a drop‐down list of available components. Select a component
from the list.

Figure 10-03: Component-specific parameters marked with arrows on the Par ID list
9. Click the cell below WrkSht Cell/Range. Type the cell address or cell range
to which you want to link. Cell addresses should be formatted with the
column letter and row number, e.g., A1 or D17. Cell ranges should be
formatted as two such addresses (representing the range’s first and last
values) separated by a colon, e.g., A1:A12 or B5:E20.
10. If you are using CC‐RECON to perform data reconciliation, you can use the
Weight column to give certain items in the reconciliation more importance
than others.
11. Repeat the procedure until you have specified all of the cells or cell ranges
that will link to your simulation.
12. Save the Data Map by selecting File > Save As. Type a name for your Data
Map and then click OK. The newly created Data Map now appears on the
CHEMCAD Explorer under the Data Maps item.

Figure 10-04: List of available Data Maps in CHEMCAD Explorer
Data Interfaces
13. To leave the Data Map open and return to your simulation, use the tabs at the
bottom of the main CHEMCAD workspace. To close the Data Map, select
File > Close.
Data Map Execution Rules

After configuring one or more Excel Data Maps for a simulation, you must set up
execution rules to use them. You can configure up to ten Data Map files per
simulation.
To set up Data Map execution rules, follow these steps:
1. On the CHEMCAD Explorer, expand the Data Maps item and then click
Execution Rules. The Data Map Execution Rules dialog box appears.

Figure 10-05: The dialog box for configuring execution rules
2. Click the square button next to the first field in the Select Data Maps column
to bring up the Select Data Map dialog box.

Figure 10-06: Selecting a Data Map from the list
3. Select the name of the Data Map for which you want to set rules, and click
OK to return to the Data Map Execution Rules dialog box. Repeat this step
for all other Data Maps whose rules you want to set up at this time.
Data Interfaces
4. In the Before Simulation Runs field next to each selected Data Map, click the
drop‐down list to choose an action for that Data Map to perform before
calculations begin:
• Do Nothing performs no action before the simulation is run. You might
use this option to disable a Data Map temporarily.
• To Workbook sends the requested data to Excel before running the
simulation. You might use this option when you want to pull data from
inlet streams or UnitOp specifications.
• To CHEMCAD sends the requested data in Excel to CHEMCAD before
running the simulation. You might use this option when you want to feed
data to inlet streams or UnitOps with data from the Excel worksheet.
5. In the After Simulation Runs field next to each selected Data Map, click the
drop‐down list to choose an action for that Data Map to perform after
calculations are complete:
• Do Nothing performs no action after your simulation has run. You might
use this option to disable a Data Map temporarily.
• To Workbook sends the requested data to Excel after running the
simulation. You might use this option when you want to send data from
streams or calculated parameters of UnitOps to the workbook in Excel.

Figure 10-07: Three different Data Maps with rules set up
6. When you have configured all of the Data Maps that you want to use, click
OK to save your rules and close the Data Map Execution Rules dialog box.
You can now run the simulation. If you open the Excel files that are linked to the
simulation, you will be able to see the parameters of streams and UnitOps related to
the Excel Data Map. You can also perform your own calculations in the workbook
based on the data linked to CHEMCAD.
Data Interfaces
Creating Excel UnitOps

You can build an Excel spreadsheet that functions as a UnitOp within CHEMCAD.
This is useful for extremely simple UnitOps such as mixers and dividers, or for
simple separations.
1. Start by creating a custom dialog box for your new UnitOp, as described in
Chapter 9, Customizing CHEMCAD.
2. Next, create an Excel spreadsheet containing your desired calculations for the
new UnitOp.
3. Open a simulation, select the Excel UnitOp tool on the All UnitOps palette,
and place a UnitOp icon on the workspace.
4. Draw the appropriate streams into and out of the Excel UnitOp.
5. Double‐click the UnitOp icon to open the Excel WorkBook Unit dialog box.
6. On the File Paths tab, use the top Browse button to specify the location and
file name of the custom dialog box that you created. Use the second Browse
button to specify the location and file name of the Excel workbook.
7. Now you need to specify how this spreadsheet will link to CHEMCAD. Click
the Data Maps tab to link the spreadsheet using one or more Data Maps, or
click the Excel Macros tab to link the spreadsheet using the COM interface.
• On the Data Maps tab, specify the execution rules as described earlier in
this chapter.
• On the Excel Macros tab, specify the names of the Excel macros that you
have programmed to use the COM interface, in the order that you want
them to be calculated.
8. Click OK to return to the main CHEMCAD window.
Specification Sheets
Using the interface with Microsoft Excel, CHEMCAD allows you to output
simulation data to an Excel spreadsheet resembling a vendor specification sheet, as
discussed in Chapter 8, Output and Reports. Customizing these spec sheets saves you
time by outputting data in the format required by your company or vendor.
To customize the spec sheet for a specific UnitOp type, edit the corresponding
Excel spreadsheet in the following directory:
C:\Program Files\Chemstations\CHEMCAD\Program\templates
If the UnitOp type you want is not represented by the Excel files in this directory,
you can copy the generic specsheet.xls file and use it as a template for a new UnitOp
spreadsheet.
Place the copy in the same directory, and make its file name the standard four‐
character abbreviation for the UnitOp type in question. For example, to create a spec
Data Interfaces
sheet template for the Flash UnitOp, you would need to name the file copy flas.xls.
See the CHEMCAD Help information about your specific UnitOp if you need to look
up this abbreviation.
Before you continue, you will need to turn off the Read‐only attribute for the
new spreadsheet file. The quickest way to do this is to right‐click the file within the
Windows Explorer, select Properties, and then clear the Read‐only check box in the
Properties dialog box.
Once the copy is renamed and the Read‐only attribute is turned off, you can
open the spreadsheet and edit it as needed.
Using CHEMCAD as an OPC Server

CHEMCAD is capable of setting up an OPC server which allows direct data transfer
between any CHEMCAD simulation and any OPC client application.
OPC stands for OLE for Process Control. OPC provides a standard method for
different devices and applications to share data. Using OPC, you can share data
between CHEMCAD simulations and SCADA systems, data historians, distributed
control systems (DCS), and human‐machine interfaces (HMIs).
In fact, the acronym OPC is now considered by many to mean Openness,
Productivity, Connectivity, because this technology forms the basis for sharing and
manipulating plant data.
OPC‐enabled systems are classified as either OPC servers or OPC clients. OPC
servers are either applications or devices that provide data. OPC clients are
interfaces that use and manipulate this data. OPC clients can connect to multiple
OPC servers at any time and read and write data to all of them.
OPC Applications
OPC can be applied as follows:
• Inferential sensors: Sometimes called soft sensors, inferential sensors use one
or more measured variables to estimate another variable. Using CHEMCAD
simulations and data from your plant’s DCS, you can embed simulations to
provide data such as concentrations, heat duty, and fouling factor, which
would not normally be available.
• Operator training: You can couple an operator HMI to a dynamic simulation
to create a training simulator that can help train operators in a safe and
effective way.
OPC Compliance
Chemstations is a Member of the OPC Foundation, an organization devoted to
maintaining the OPC standards. CHEMCAD has been certified for, and interop
tested for, OPC DA standard 2.05a.
Data Interfaces
Enabling CHEMCAD as an OPC Server

To enable OPC within CHEMCAD, select Tools > Options > Misc. Settings, then
check the Enable OPC Server box and click OK. When you do this, CHEMCAD
registers an OPC server named CHEMCAD.SimulationServer.1 on your machine.
Once you load a simulation, all of that simulation’s stream properties and
UnitOp settings and variables are automatically published as tags to the OPC
server’s namespace.
Every value tag has a units tag associated with it, which shows the engineering
units used to report the value. To change the engineering units, select Format >
Engineering Units within a CHEMCAD simulation.
When the OPC server feature is enabled, CHEMCAD automatically registers
itself as an OPC server. If you want to unregister CHEMCAD and remove it from the
list of OPC servers, you can select Start > Run and type the following command:
{program directory}\CC6.Exe –unregister
For example, if your program directory were C:\Program
Files\Chemstations\CHEMCAD\Program (the default directory), you would type
the following:
C:\Program Files\Chemstations\CHEMCAD\Program\CC6.exe -
unregister
Reading and Writing Values to CHEMCAD Using OPC

You can use OPC to have values read from or written to a simulation, and to run the
simulation. Both steady‐state and dynamic simulations can be run in this way.
Values are updated to the OPC server whenever CHEMCAD completes a steady‐
state run or a dynamic time step. Values can also be read; in the case of a dynamic
simulation, reading values between time steps will cause the program to extrapolate
from the last converged results.
Values can be written at any time. If CHEMCAD is in the process of executing a
time step or a steady‐state simulation, the values are held in a buffer until the
simulation is converged, at which time the values are written to CHEMCAD.
When values are written to a CHEMCAD stream, the stream is immediately
reflashed, and all OPC tags for that stream are updated.
OPC Server Operations

In addition to reading and writing process data to CHEMCAD, it is useful to be able
to send commands to CHEMCAD, for example to tell CHEMCAD to start or stop
running a simulation.
This is done with a series of flags in the CHEMCAD group of the OPC server. To
use any of these flags, write a 1 to flag. CHEMCAD will execute the desired
command and return a value indicating success or failure. A return of 0 indicates
Data Interfaces
that the command has completed successfully, while a negative return indicates a
problem of some kind.
The available commands are as follows:
• Refresh Server tells CHEMCAD to refresh all data sent to the OPC server.
• Run Steady State runs a steady‐state simulation. When the simulation
finishes, the flag will be reset either to 0 (run converged) or to a negative
number indicating the number of errors that occurred during the run. To
view the error message text, you must open the CHEMCAD interface
directly.
• Restore to initial state returns a dynamic simulation to time zero. A return of
0 indicates success; a value of ‐1 indicates failure.
• Run Dynamic starts a dynamic simulation. A return of 0 indicates success; a
value of ‐1 indicates failure.
• Run Dynamic One Step runs a single time step of a dynamic simulation. A
return of 0 indicates success; a value of ‐1 indicates failure.
• Set Initial State sets the current process conditions as the time‐zero
conditions, overwriting the previous time‐zero conditions. A return of 0
indicates success; a value of ‐1 indicates failure.
• Stop Simulation stops a dynamic simulation. A return of 0 indicates success;
a value of ‐1 indicates failure.
CHEMCAD OPC Namespace

An OPC namespace defines and organizes all the available commands and data.
OPC namespaces are divided into groups, each of which contains items. Items are
sometimes referred to as tags.
Note: Most of the data items in a simulation have engineering units associated with
them. In these cases, we usually define two separate tags, one containing the data
value and the other containing the units string. All units strings are read only from
OPC. The units strings are governed by the settings inside the simulation.
The groups in CHEMCAD’s OPC namespace are organized as follows:
• CHEMCAD.SimulationServer: This is the OPC server name. By convention,
this name is followed by a version number, e.g.,
CHEMCAD.SimulationServer.1, to indicate the OPC Server version. This is
the server name to which OPC clients will connect.
• CHEMCAD Group: This group contains any information that is not
dependent on a stream or UnitOp, and all commands used to run
CHEMCAD.
Data Interfaces
• Streams Group: This group contains a series of subgroups, one for each
stream on the flowsheet numbered by stream ID number.
• UnitOperations Group: This group contains a series of subgroups, one for
each unit operation on the flowsheet, numbered by UnitOp ID number.
COM Interfaces
Component Object Model (COM) is a Microsoft‐standard platform that enables
programs to share content such as data and calculation routines. This interface
makes it possible for other programs to control a CHEMCAD simulation.
CHEMCAD acts as a COM server, so any program that can act as a COM client
can be made to interface with CHEMCAD in this way. If you aren’t certain whether
your application can act as a COM client, check with the software vendor.
Note: Using the COM interface to CHEMCAD is a complicated procedure that
requires some experience in programming. If your organization lacks in‐house
expertise in programming, consider bringing in a third‐party resource to assist you
with the procedure.
The following section is a brief walk‐through of a simple COM interface between
Excel and CHEMCAD.
Connecting Excel and CHEMCAD: A Simple COM Interface

While you can export or import data values using Excel Data Map, more
complicated interactions—such as running a simulation from another program—
require the extra control afforded by the COM interface.
The following is a simplified description of the procedure for connecting these
two programs and enabling Excel to load a simulation, change a value, run the
simulation again, read the same value, and then close the simulation.
In this procedure, you’ll use Excel to do the following:
• Open CHEMCAD
• Read in values from CHEMCAD into an Excel workbook
• Change a value in the simulation
• Run the simulation
• Read the revised values back into Excel
Normally, using COM interfaces involves some programming. We have created
an example called VBCLient.xls to help you overcome that hurdle; you don’t need to
write any code at all to use this tool. Even if you need to write your own program,
the code in the macros of VBClient will come in handy as a guide.
Data Interfaces
Using the VBClient Example

Follow these steps to use the VBClient example:
1. Open Excel and load the workbook called VBClient.xls. This workbook has
three worksheets:
• Command contains buttons for controlling a CHEMCAD simulation.
• Streams displays all stream data in the simulation. This sheet can be used
for both input and output of stream variables to the CHEMCAD
simulation.
• UnitOps displays all UnitOp‐related data for the simulation. This sheet
can be used for both input and output of UnitOp variables to the
CHEMCAD simulation.
2. On the Command sheet, you will see a series of buttons to load CHEMCAD,
load a simulation, read data from the simulation, write data back to the
simulation, and run the simulation. Click Load CHEMCAD to start an
instance of CHEMCAD.
Click Load Simulation to load a simulation into CHEMCAD.
Make a change to the data shown on the Streams and UnitOps sheets.
Note: Some values are read‐only. For example, VBClient does not allow you to
change a stream’s total flow rate directly; you must instead change the component
flow rates to make a change to the total flow rate.
3. Click Save Data to push your changes to the CHEMCAD simulation.
4. Click Run All to run the simulation.
5. Note the changes to the data on the Streams and UnitOps sheets.
A Peek under the Hood

Right‐click Load CHEMCAD, select Assign Macro, and then click Edit. The Visual
Basic editor in Excel opens to display the code behind the button:
Sub LoadCC5()
' initialize global variables

selJobName = ""
selCaseName = ""
selUpdateStrUopData = False
selOK = False
Set CC5 = Nothing
' load CHEMCAD

Data Interfaces
Set CC6 = CreateObject("CHEMCAD.VBServer")
If CC6 Is Nothing Then

Dim msg As String
msg = "Can not load CHEMCAD."
MsgBox msg
End If
End Sub
The most important line in that whole subroutine is:
Set CC6 = CreateObject("CHEMCAD.VBServer")
In that single line, Excel loads CHEMCAD into memory.
Loading a simulation is accomplished with this simple line:
retFlag = CC6.LoadJob(casePath)
Running a simulation can be as simple as this:
retFlag = CC6.SSRunAllUnits
The document called COM Interface Reference.doc, available on the
Chemstations web site, provides a full reference of the commands available through
COM.
Data Interfaces
Chapter 11
CHEMCAD Tutorials
Although the simulations stored in your Examples directory are useful for many
scenarios, the best way to learn to use CHEMCAD is to create and run simulations
yourself. The tutorials in this chapter walk you through basic simulation building
step by step, using a realistic example problem that will help prepare you for your
own simulations.
The first tutorial is for a simple steady‐state simulation, which is then used as the
basis for the second tutorial, in which you’ll learn to use the CC‐THERM module to
rate a heat exchanger. The third tutorial walks you through a batch distillation
problem using CC‐BATCH, and the final tutorial covers various scenarios for piping
systems.
CHEMCAD Tutorials
CC-STEADY STATE Tutorial

This tutorial creates a basic steady‐state simulation for a condensate stabilizer plant.
In this plant, gas enters the system with the feed conditions shown in the following
diagram:

Figure 11-01: Condenser stabilizer problem diagram
Your job is to determine new operating conditions for this existing plant, along
with any necessary modifications. The design requirements are as follows:
• The cricondentherm dewpoint of the product gas must be 20° F or less. A
cricondentherm dewpoint is the highest temperature for two‐phase
coexistence of a mixture. As long as the stream temperature stays above the
cricondentherm dewpoint, the stream contents will not condense.
• The stabilized condensate must have maximum propane content of 1%.
Overview
Running a flowsheet simulation in CHEMCAD is essentially a nine‐step procedure:
1. Start a new simulation.
3. Create a flowsheet.
4. Select components.
5. Select thermodynamics options.
6. Define the feed streams.
7. Enter UnitOp parameters.
CHEMCAD Tutorials
9. Review the results and print as needed.
The steps do not have to be performed in this order, nor do all of them have to be
done for each flowsheet, but you should consider all steps for each problem.
Starting a New Simulation

Start by creating a new simulation and giving it a name.
To do this, launch CHEMCAD and then Select File > Save to open the Save As
dialog box. Navigate to the directory where you want to store the simulation (try My
Simulations, located under My Documents) and give your simulation a name,
leaving the type as CHEMCAD 6 (*.cc6). Then click Save to create the file and return
to the main CHEMCAD window.
Note: Instead of saving all changes instantly, CHEMCAD now saves your simulation
only when you use the Save command. This provides you with greater flexibility
and gives you more control over your simulations, but it also means that you should
save your work frequently. This is a sound practice for working in any software
application, as it can help you avoid losing work in the event of a power problem or
computer glitch.

Select Format > Engineering Units to open the Engineering Unit Selection dialog
box.
The English units option is the default and is currently highlighted. To change the
engineering units system, you would click the Alt SI, SI, or Metric button; you could
then change any of the individual units as well. For this tutorial, you will use English
units, so click Cancel to exit this dialog box without making changes.

As described in Chapter 5, creating a flowsheet is a matter of placing UnitOp icons
on the screen, connecting them with streams, and then adding various graphical
objects to enhance the drawing.
Placing UnitOps
1. Start your flowsheet by adding an icon to represent the initial feed stream. In
the All UnitOps palette, find the Feed icon, which is an arrow pointing to the
right. Click the Feed icon, then click in the workspace where you want to
place the feed stream. When the feed stream arrow appears, go ahead and
turn off the Feed drawing tool by right‐clicking any blank area of the
workspace.
CHEMCAD Tutorials
Note: At any time after drawing a feed stream or any UnitOp icon, you can click the
icon to display the black sizing handles at each corner. With the icon selected this
way, you can click the icon and drag it to a new location, or click any sizing handle
and drag it outward or inward to resize the icon.
2. Now place the two heat exchangers on the flowsheet. On the All UnitOps
palette, point to the Heat Exchanger icon until its pop‐up label appears (see
Figure 11‐02).

Figure 11-02: The pop-up label that identifies the UnitOp icon
3. Click the lower right corner of the Heat Exchanger icon, on the black triangle,
to open the sub‐palette. Select the two‐sided heat exchanger icon as shown in
Figure 11‐03. The icon that you clicked in the sub‐palette now appears on the
main All UnitOps palette to represent the Heat Exchanger UnitOp.

Figure 11-03: Selecting the two-sided heat exchanger icon
4. Point the mouse cursor about an inch to the right of the feed icon and click. A
two‐sided heat exchanger icon appears on the flowsheet where you clicked.
Note: The UnitOp ID label of 1 should appear in a circle next to the heat exchanger
icon. For each subsequent UnitOp that you draw, CHEMCAD will assign an ordinal
number in this way, to uniquely identify each piece of equipment on the flowsheet.
5. Return to the All UnitOps palette, and again click the Heat Exchanger icon’s
black triangle. To switch from the two‐sided model to a single‐sided model,
you’ll need to select the appropriate icon (see Figure 11‐04) from the Heat
Exchanger sub‐palette.
CHEMCAD Tutorials

Figure 11-04: Switching to the single-sided heat exchanger icon
6. Again move the cursor to the workspace, this time about an inch to the right
of the first heat exchanger, and click the mouse. A single‐sided heat
exchanger icon appears on the flowsheet where you clicked. Your flowsheet
so far should look something like Figure 11‐05.

Figure 11-05: The flowsheet so far
7. Add the Flash and Valve UnitOp icons to your flowsheet, using the standard
icons.
8. For the condensate stabilizer, use a distillation column. Multiple distillation
UnitOps are available, but for now, assume that the module you want to use
is the rigorous distillation model called Tower. You’ll need a Tower icon with
trays and a reboiler but no condenser; this is different from the default Tower
UnitOp icon. Click the lower right corner of the Tower icon’s box to view the
sub‐palette, then select the icon shown in Figure 11‐06.

Figure 11-06: Selecting the appropriate Tower UnitOp icon
9. Now that you have selected the appropriate Tower icon, add this UnitOp to
the flowsheet.
CHEMCAD Tutorials
10. Place three Product icons on the flowsheet, one for each product stream. You
can quickly place three identical icons, simply by clicking repeatedly in a
slightly different location. When you’ve clicked to create the third Product
icon, right‐click to turn off the Product drawing tool.
Drawing Streams
Now that all of the UnitOps are in place, select the Stream tool and connect the
various UnitOps as appropriate. Remember that each stream must start at a red
outlet point on the upstream UnitOp, and end at a blue inlet point on the
downstream UnitOp.
To avoid having to re‐select the Stream tool each time, make sure that as soon as
you click to complete one stream, you move the cursor to the next location and click
to start the next stream.
Draw streams to connect the following:
• Feed stream to first heat exchanger’s left‐side inlet
• First heat exchanger’s right‐side outlet to second heat exchanger’s left‐side
inlet
• Second heat exchanger’s right‐side outlet to flash inlet of your choice
• Flash top outlet to first heat exchanger’s top inlet
• First heat exchanger’s bottom outlet to nearest product icon
• Flash bottom outlet to valve inlet
• Valve outlet to tower inlet of your choice
• Tower top outlet to nearest product icon
• Tower bottom reboiler outlet to nearest product icon
As you draw streams, CHEMCAD assigns stream IDs, just as it assigned UnitOp
IDs when you created those items. The labels for stream IDs are displayed in
squares, to distinguish them from the UnitOp IDs displayed in circles.
Selecting Components
Now you need to identify the components to be used in this simulation. Start by
selecting Thermophysical > Select Components. This brings up the Select
Components dialog box, shown in Figure 11‐07.
CHEMCAD Tutorials

Figure 11-07: The Select Components dialog box
For this example, you’ll choose components from the standard CHEMCAD
database. In the Select Components dialog box, find and add each needed
component, beginning with nitrogen:
1. In the Search box, start typing the word nitrogen.
2. As soon as you’ve typed ni, you should see 46 – Nitrogen – N2 highlighted in
the Available Components area. Click the right arrow button to add nitrogen to
your simulation.
3. Use the scroll bar in the Available Components area to return to the top of the
component list.
4. Hold down the [CTRL] key on your keyboard as you click each of the
following components in turn:
• 2 Methane
• 3 Ethane
• 4 Propane
• 5 I‐Butane
• 6 N‐Butane
5. Click the right arrow button, located to the right of the Available Components
area, to add all of the selected components to your simulation.
6. Now add the following components by double‐clicking each one in turn:
• 7 I‐Pentane
• 8 N‐Pentane
• 10 N‐Hexane
CHEMCAD Tutorials

Figure 11-08: The completed Select Components dialog box
7. Save your component selections by clicking OK.
Selecting Thermodynamic Options

As soon as you have finished component selection, the Thermodynamics Wizard
appears. This tool can suggest thermodynamics options to use with this simulation.
CHEMCAD’s Thermodynamics Wizard works like this:
1. First, it looks at the component list and decides what general type of model is
required, i.e., equation‐of‐state, activity model, etc.
2. Second, it looks at temperature and pressure ranges that you provide and
decides which equation within a given category is best at the limits of those
ranges.
3. If the method is an activity model, the program then looks at the BIP
database to see which model has the most data sets for the current problem.
It then calculates the fractional completeness of the BIP matrix. If that fraction
is greater than the BIP threshold parameter, it uses the chosen activity
method; if not, it uses UNIFAC.
The Thermodynamics Wizard is no replacement for engineering judgment. This tool
uses an algorithm based on general rules, and is therefore fallible. The suggested
model might not always be the best model for the system.
Selecting thermodynamic options basically means selecting a model or method
for calculating vapor‐liquid (or vapor‐liquid‐liquid) phase equilibrium (called the K‐
value option) and selecting a method or model for calculating the heat balance (called
the enthalpy option). The commands for these selections are located on the
Thermophysical menu.
CHEMCAD has a library of dozens of K‐value models with a variety of options
and about 12 enthalpy models. Making the proper selection from these libraries can
sometimes be difficult. For the purposes of this tutorial, assume that you want to use
CHEMCAD Tutorials
the Peng‐Robinson method for both the K‐value and enthalpy calculations. Follow
these steps to select your thermophysical options:
1. Accept the default temperature and pressure ranges in the Thermodynamics
Wizard and click OK.
2. Click OK again to accept the wizard’s suggested method of SRK.
3. When the Thermodynamic Settings dialog box opens, find the Global K‐
Value Option selection, in the upper left corner of the K‐Value Models tab.
The current setting is SRK, but for the purposes of the tutorial, you’ll need to
select the Peng‐Robinson model. Click the down arrow at the right end of the
selection box to view a long list of K‐value choices, then click Peng‐
Robinson.

Figure 11-09: The new K-value selection in the Thermodynamic Settings dialog box
4. Now click the Enthalpy Models tab. The Peng‐Robinson method has already
been entered as the Global Enthalpy Options selection; this was done
automatically because you chose Peng‐Robinson as your K‐value method.
While you do have the option to override this choice, in this case you’ll need
to keep the Peng‐Robinson model; leave all settings as they are and click OK
to return to the main CHEMCAD workspace.
For the purpose of this tutorial, the thermodynamic selections are now complete.
Note: While you are not required to use the Thermodynamics Wizard, you should
know how to use it, if only as a starting point for your simulations. You can revisit
the wizard at any time by selecting Thermophysical > Thermodynamics Wizard.
CHEMCAD Tutorials
Defining the Feed Streams

Now it’s time to define your simulation’s feed stream. There are several ways that
you can do this, but the quickest and most efficient way to define a single stream is
to double‐click the stream line.
Note: Before you proceed, verify that your engineering units are set to English in the
Engineering Unit Selection dialog box, as described earlier in this tutorial.
Double‐click the line for stream 1, your feed stream, to bring up the Edit Streams
dialog box.

Figure 11-10: The Edit Streams dialog box
You will specify the feed stream according to the following rules:
• The Stream Name field can display a stream label of up to 16 alphanumeric
characters. This field is optional, and you can use any label you like.
• The next four fields—Temp F, Pres psia, Vapor Fraction, and Enthalpy
MMBtu/h—are the thermodynamic properties of the stream. According to the
Gibbs Phase Rule, once a mixture’s composition is given, specifying any two
of these four thermodynamic properties will define the other two. As such,
defining the composition, temperature, and pressure for a mixture uniquely
defines its vapor fraction and enthalpy. Alternatively, defining the
composition, pressure, and enthalpy will uniquely define the mixture’s
temperature and vapor fraction.
Since enthalpies are calculated relative to a datum, the calculation of any
given stream enthalpy is an involved process which is prone to errors. For
this reason, CHEMCAD does not permit you to enter stream enthalpy as a
constraint.
CHEMCAD Tutorials
In addition to defining the stream’s composition, you must define exactly
two of the following properties: temperature, pressure, and vapor fraction.
The two variables that you specify will display as red text, while the third
variable and the value enthalpy will be displayed in black when you flash the
stream.
An exception to this convention allows you to add heat duty with an empty
stream. If you specify a total component flow rate of zero, you may specify a
temperature, pressure, and enthalpy rate. A stream defined this way is
treated as a heat duty, and is added to the heat balance of the unit. The
temperature and pressure are arbitrary for this situation.
• The Total flow unit and Comp unit fields work together to provide a variety
of ways to define stream compositions. If the selected comp unit is mole,
mass, or volume fraction (either globally or locally), then the Total flow unit
selection is available. If the selected comp unit is a flow or amount option,
then the total flow rate becomes the sum of the component flow rates, and
the Total flow unit selection is not available.
• If the Comp unit field selection is an amount flow unit (as opposed to a
fractional unit), then the component flow rate values are automatically added
as you enter them. The current sum is displayed in the Total flow field.
• You can click the Flash button at any time to perform a flash calculation
using the currently specified composition and thermodynamic properties.
This enables you to obtain flash calculations quickly and without leaving the
dialog box.
• Fractions that do not add up to 1.0 are automatically normalized when you
either click Flash or exit the dialog box.
With these rules and behaviors in mind, enter the data for your feed stream.
1. Begin with the stream temperature. Click the Temp F label, then click the
empty field to its right. Type 75 and then press the down arrow key on your
keyboard to continue.
2. Type 200 in the Pres psia field, then press the down arrow key several times
until you arrive at the Nitrogen field.
Note: Before you continue, verify that the Comp unit field is set to lbmol/h.
3. Type 100.19 in the Nitrogen field, and then in similar fashion, type the
following numbers in the corresponding fields:
• Methane: 4505.48
• Ethane: 514
• Propane: 214
• I‐Butane: 19.2
CHEMCAD Tutorials
• N‐Butane: 18.18
• I‐Pentane: 26.4
• N‐Pentane: 14
• N‐Hexane: 14
4. Click OK to save this stream information and return to the main CHEMCAD
workspace.
Enter UnitOp Parameters

Now that you’ve specified your feed stream properties, it’s time to specify the
characteristics of your UnitOps. The following sections address each UnitOp in turn.
Note: As with streams, you can enter UnitOp parameters in various ways, but for the
purposes of this tutorial, we’ll use the quickest and simplest method, double‐clicking
each UnitOp to access its specification dialog box.
First Heat Exchanger

1. Double‐click the flowsheet icon for the first heat exchanger. The Heat
Exchanger dialog box will appear, as shown in Figure 11‐11.

Figure 11-11: The Heat Exchanger dialog box
2. As with many types of UnitOps, the dialog box for specifying a heat
exchanger consists of multiple tabbed pages. You can browse through the
Specifications, Misc. Settings, and Cost Estimations tabs by clicking each
tab in turn.
3. The pressure drop on both sides of this exchanger is 5 psi. On the
Specifications tab, find the Pressure Drops area, and enter 5 in both the Stream
1 and Stream 4 fields.
4. The first stream outlet must be at its dewpoint, so you’ll need to specify an
outlet vapor pressure of 1. In the field next to Vapor fraction stream 2, enter 1.
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5. Click OK to save the specifications for this UnitOp and close the dialog box.
Second Heat Exchanger

1. Double‐click the flowsheet icon for the second heat exchanger. The Simple
Heat Exchanger dialog box will appear.
2. The outlet temperature from this heat exchanger will determine how much of
the liquid is removed in the flash drum. This, in turn, will determine the
cricondentherm dewpoint of the product gas. Therefore, this specification is
one of the key parameters of this process. As a first attempt, use an outlet
temperature of ‐5° F. Enter 5 in the Pressure drop field and –5 in the
Temperature of stream 3 field.

Figure 11-12: Setting up the second heat exchanger
Flash Drum
In this simulation, the flash drum is a vapor‐liquid separator and requires no
specification.
Valve
1. Double‐click the valve flowsheet icon to bring up the Valve dialog box.
2. The outlet pressure for this unit is 125 psia, so enter 125 in the Outlet pressure
field.
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Stabilizer Tower
1. Double‐click the tower icon to open the TOWR Distillation Column dialog
box. Note that the settings for this UnitOp are divided into five tabs.
2. On the General tab, enter the following:
• Colm press drop: 5
• No. of stages: 12
• Feed tray for stream: 1
3. Click the Specifications tab to make specifications for the column. This
column has no condenser or side streams, so you will only be making
specifications for the reboiler. Drop down the list of options for Select reboiler
mode, and select the mode called 4 Bottom mole flowrate.
4. Now you need to specify the numeric value of the reboiler flow rate. In the
Specification field immediately to the right of your reboiler mode selection,
enter a value of 30.
5. Click OK to save the specifications for this UnitOp and return to the main
CHEMCAD workspace.
All of the data entry for the flowsheet is now complete. Before you continue, you
should save your simulation. As noted earlier, it’s a good idea to do this periodically
as you build the simulation, but completion of your UnitOp specifications is a
particularly good time to stop and save.
Run the Simulation

To run the simulation, click the Run All button on the toolbar.
The program first rechecks the data and lists any errors and warnings in the
Messages pane. In this case, you should have no errors, although you will have
warnings about estimates you have not given. You can ignore these warnings and
proceed by clicking Yes. The calculation will then proceed.
When the run finishes, a message box appears: Recycle calculation has converged.
To close this dialog box and clear the screen, click OK.
Review the Results and Print as Needed

Before running and printing reports and plots, you should review the simulation to
verify whether it meets the design criteria set out for this problem.
Checking the Cricondentherm Dewpoint

If you have chosen the proper outlet temperature for the second heat exchanger, the
cricondentherm dewpoint for the product gas stream (stream 5) will be 20° F or less.
The cricondentherm dewpoint, you will recall, is the highest dewpoint temperature a
mixture will ever see at any pressure. The simplest way to identify the highest
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dewpoint temperature of the product gas is to plot all of the dewpoint temperatures
of the product gas, i.e., to plot a phase envelope.
1. Start with the Plot menu, which provides access to all types of graphical
reports. Select Plot > Phase Envelopes. In the Select Streams dialog box,
specify stream 5, then click OK to bring up the Phase Envelope dialog box.
2. No entries are required on this screen since you only need to look at the
dewpoint line, but to make the plot more interesting, display the 0.25 and the
0.5 vapor fraction lines in addition to the normal phase envelope boundaries.
Complete the dialog box as shown in Figure 11‐13.

Figure 11-13: Plotting vapor fraction lines along with the cricondentherm dewpoint
3. Click OK to continue. CHEMCAD perform the required flash calculations to
generate the specified phase envelope. Phase envelope results are produced
in two formats:
• A numerical tabulation (table) of the temperature, pressure, vapor
fraction, vapor compressibility factor, and the liquid compressibility
factor
• A graphical plot of temperature and pressure for each vapor fraction line
requested
The tabular results will appear first; since you’re interested in the graphical
results, close the window displaying the table. The screen will now look
similar to Figure 11‐14. Note that the main CHEMCAD button toolbar is
largely unavailable now, and the menu items have changed.
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Figure 11-14: Phase envelope plot results
4. To determine whether the cricondentherm dewpoint of stream 5 is 20° F or
less, zoom in on the far right portion of the dewpoint curve. To do this, click
and drag with your mouse to highlight that portion of the graph—
approximately 400 to 1000 psi and 0 to 30° F. When you release the mouse
button, the selected area will fill the entire plot window, giving you a close‐
up view of specific data points.

Figure 11-15: Zoomed-in plot results
5. As this view shows, the highest dewpoint of this mixture is a little less than
20° F, so the cricondentherm dewpoint is indeed within the target product
gas specification. Right‐click the mouse anywhere in the plot window to
return to the full plot view.
6. To print the phase envelope plot, click the Print button and then follow any
prompts from your printer.
7. You can also try the following to practice working with plots in CHEMCAD:
• Edit the text of the plot title (in this case, Phase Envelope for Stream 5) or the
graph axis labels by selecting Graph > Edit Titles. In the Chart Titles
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dialog box, make any desired changes and then click OK to view the
updated chart.
• Select Graph > Edit to open the Chart Explorer, which provides access to
settings for color, size, layout, and various other aspects of the plot
presentation.
8. Return to the main CHEMCAD window by selecting File > Close.
Checking the Bottoms Stream Purity

This problem also requires that the percent of propane in stream 9 be 1%. You can
check to see if you’ve achieved this specification by checking the stream composition
report available on the Report menu. First, though, you’ll need to set the flow units
for the stream composition.
1. Select Report > Set Flow Units to bring up the View Flow Rate Unit dialog
box. Click the Mole % button and then click OK to apply this selection and
close the dialog box.
2. Now select Report > Stream Compositions > Select Streams. In the Select
Streams dialog box, enter 9 and then click OK to continue.
3. The resulting tabular data window shows that propane is greater than the 1%
specification (see Figure 11‐16). This means that the initial design is too
conservative. To correct this, you can go back and re‐specify the column to
produce precisely 1% propane in the bottom.

Figure 11-16: Stream Composition report for stream 9
4. Select File > Exit in the tabular data window to return to the main
CHEMCAD window.
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Re-running the Simulation

You can now re‐run the stabilizer, specifying that you want 1% propane in the
bottom.
1. Double‐click the Tower UnitOp to bring up the TOWR Distillation Column
dialog box for the stabilizer.
2. Click the Specifications tab. You need to change the reboiler mode from 4
Bottom mole flowrate to a purity specification. Click the Select reboilers mode
drop‐down list and select 6 Bottom component mole fraction.
3. With this change of mode, you need to specify the desired purity and the
component for which it is being specified. In the Specification field, enter .01.
In the Component drop‐down list, select 4 Propane.
4. Click OK to save your changes and return to the main CHEMCAD
workspace.
5. You can now re‐run the calculations for the condensate stabilizer. While you
could accomplish this using the Run All command, it’s more efficient to re‐
run only the UnitOp that you have changed. The quickest way to do this is to
right‐click the UnitOp icon on the flowsheet and select Run this UnitOp. Run
the Tower UnitOp using this method.
As soon as you see the Run finished message in the bottom left corner of the
CHEMCAD window, you can check on the propane content of the bottom stream.
You’ve already seen how to get a detailed Stream Composition report; you can also
use the Flowsheet Quickview feature to get instant stream information without even
clicking the mouse.
Find the Flowsheet Quickview button at the far right end of the CHEMCAD
toolbar. If this button is not currently activated (with a thin outline and a white
button background), click the button to turn on this feature.

Figure 11-17: Turning on the Flowsheet Quickview feature
With Flowsheet Quickview turned on, point your mouse cursor at stream 9 on
the flowsheet. After a moment, a pop‐up information window appears, listing
stream properties including composition. The value for propane should be 1 or very
close to 1, as shown in Figure 11‐18.
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Figure 11-18: Checking the propane content of stream 9
Now that you have achieved the results that you set out to produce, save the
simulation, using either File > Save or the Save button on the toolbar.
Producing a Text Report

The Report menu offers a broad array of text reports, as described in Chapter 8,
Output and Reports. For the purpose of this tutorial, assume that you want to view
and print out a report with the following information:
• For Streams 1, 5, 8 and 9, the stream composition in mass flow rates and mole
fractions, as well as the default stream properties
• The equipment summaries for every piece of equipment in the flowsheet
• Tower tray profiles for the condensate stabilizer
Because you want a report with a broad range of information about your
simulation, use the Consolidated Report option.
1. Select Report > Consolidated Report to bring up the Consolidated Report
menu. From here, you can specify exactly what you want to include in your
report.
2. Start by specifying which streams you want to include. Click Select Streams
to open the Select Streams dialog box.
3. Click the All streams box to clear the default check mark, then type the
numbers 1, 5, 8, and 9 into stream ID boxes. Click OK to return to the
Consolidated Report menu.
4. Now select which UnitOps you want to include. Click Select Unit
Operations to open the Select UnitOps dialog box.
5. The Print all UnitOps option is selected by default. In this case, you do want
to include all UnitOps in the report, so verify that this box is checked and
then click OK to return to the Consolidated Report menu.
6. Click Stream Properties to open the Property Options dialog box. Here, you
can select any combination of items on the General and Crude/Solid tabs to
determine what stream properties will be included in the report. Checked
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items will be included by default; to toggle any item on or off, simply click
the corresponding box.
For the purpose of this tutorial, use the default settings in this dialog box.
Click Cancel to close the dialog box and return to the Consolidated Report
menu.
7. Click Stream Flowrate/Compositions to open the Flow/Composition Options
dialog box. Click the checked box next to Mole flow rate to turn off this
default option. Then, click the Mass flow rate and Mole fractions boxes to
turn both of those options on. Click OK to save your settings and return to
the Consolidated Report menu.
8. Finally, specify which information to print for the condensate stabilizer
distillation column by clicking Distillation Summaries. In the Distillation
Options dialog box, the information you’re looking to print—Tray profile—is
already selected. Click OK to return for the last time to the Consolidated
Report menu.
9. To generate the report, click Calculate and Give Results. The report displays
in a separate window, with a format suitable for printing. You can edit, save,
and print the report as needed.
10. When you finish reviewing and working with the report, close the report
window to return to the main CHEMCAD workspace.
Generating a Process Flow Diagram

As you know, the streams and UnitOps on a flowsheet only tell part of the story of
your process. Fortunately, CHEMCAD provides many features to help you add the
extra content needed to turn a plain flowsheet into a full‐fledged process flow
diagram (PFD) for others to review and use.
To prepare your finished simulation to be printed as a PFD, you’ll add a stream
databox containing the heat and material balance for the entire flowsheet. You’ll
place that databox underneath the flowsheet diagram and then add a title to the area
above the flowsheet. Finally, you will create a new layer in this simulation and
assign the PFD‐specific items to that layer, so that you can hide them from view
when working and display them again quickly for printing.
Follow these steps to prepare and print the PFD:
1. Start by zooming out to give yourself more workspace. If you use a mouse
that is equipped with a scroll wheel between the mouse buttons, you can
point at the center of your flowsheet and roll the scroll wheel down a few
clicks to zoom out. If you don’t have a scroll wheel, you can select View >
Zoom Options > Out.
2. Now place the databox containing the heat and material balance for this
flowsheet. Select Format > Add Stream Box to bring up the Select Streams
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dialog box. Because you want to include all streams, leave the settings the
way they are and click OK to continue.
3. In the Databox Property Options dialog box, review the default selections,
indicated by checked boxes. For the purposes of this tutorial, leave the
selections as they are and click OK to continue.
4. In the Databox Settings dialog box, you can control the font style and size of
the databox text, as well as the use of dividing lines within the box. Accept
the default settings here and click OK.
5. The stream databox appears in the upper left corner of the CHEMCAD
workspace, but you want to place it below the flowsheet. The databox is
already selected, so point your mouse cursor anywhere inside the box and
then click and drag to reposition it. Move the databox until it is centered
below the flowsheet diagram.
Note: You can also resize a databox by selecting the box and then clicking and
dragging any of the sizing handles at the corners. Drag in to make the databox
smaller, or out to make it larger; notice that the text adjusts in size to fit the box.
6. Now place a title on the PFD to describe the process. In the All UnitOps or
Drawing Symbols palette, find and select the Text tool.
7. Move the cursor to a point somewhere above the flowsheet and click the
primary mouse button. A vertical insertion point line begins to blink where
you have clicked. Type the words Condensate Stabilizer PFD and then click
any blank spot on the CHEMCAD workspace.
8. To make this text larger, select Format > Font. In the Font dialog box, change
the Size setting to 18 and then click OK.
9. Click and drag the new heading to center it above the flowsheet diagram.
10. Finally, set up a layer for your stream databox and title so that you can
display or hide these items as a single unit. At the bottom of the CHEMCAD
Explorer pane, click the Simulation tab, then right‐click the Layers item and
select New.
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Figure 11-19: Creating a new layer using the CHEMCAD Explorer
11. In the New Layer dialog box, type a name for the new layer. For this
example, name the layer PFD Elements, then click OK to create the layer.
12. Now add the two PFD elements to the layer. Click the title that you placed
above the flowsheet, then hold down the [SHIFT] key and click inside the
stream databox that you placed below the flowsheet. Both items should now
be selected, with small black boxes visible in each corner.
13. In the CHEMCAD Explorer pane, double‐click the Layers item to expand it,
then right‐click on your newly created PFD Elements layer and click Add
Selected.

Figure 11-20: Adding selected items to your new layer
14. The title and stream databox are now part of the PFD Elements layer. This
layer is visible, as indicated by the green check mark on its icon. Click this
icon or the name PFD Elements to toggle the layer off, causing the title and
stream databox to disappear; then click again to make them visible.
15. With the PFD elements visible, select View > Zoom Options > Zoom to Fit.
This custom‐fits the entire PFD to the available workspace for optimal
printing. To print, you can either select File > Print or click the Print button
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on the main CHEMCAD toolbar. Follow the prompts for your printer to
complete the printing process.
16. To close CHEMCAD, select File > Close, or click the Close button in the
upper right corner of the CHEMCAD window. Click Yes at the message
asking whether you want to exit CHEMCAD, then click Yes again to save
changes to the simulation.
CHEMCAD Tutorials
CC-THERM Tutorial
This tutorial walks you through the rating of a heat exchanger. The example you’ll
work with is the condensate stabilizer example described in the CC‐STEADY STATE
tutorial, which looks like this:

While it’s recommended that a new CHEMCAD user build this simulation from
the ground up to gain proficiency with the software, a ready‐made example called
CHEMCAD Tutorial.CC6 is also available. This file is located by default in the
directory called My Documents\My Simulations\Examples\Tutorials.
Your objective is to rate the first heat exchanger in this flowsheet. The equipment
you’re working with is a countercurrent gas/gas heat exchanger with the following
geometry and dimensions:
• TEMA class = R
• TEMA type = BEM
• Fouling factors = 0.001 both sides
• Shell inside diameter = 27”
• Number of tubes = 646
• Tube outside diameter = 0.75”
• Tube wall thickness = 0.065”
• Tube length = 20’
• Tube pattern = rotated triangular (60°)
• Tube pitch = 0.9375”
• Baffles: 10, equally spaced
• Baffle type = single segmental
• Baffle cut = 35% (diameter)
• Impingement plate present
• Shell‐side nozzles = one, 12”
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• Tube‐side nozzles = one, 12”
• Baffle to shell I.D. clearance = 0.3125” (diameter)
• Shell I.D. to OTL clearance = 0.35433” (diameter)
• Tube to baffle hole clearance = 0.035” (diameter)
• Space at top of bundle = 2.8”
• Carbon steel tubes; all other materials A‐285‐C
• 5 rows per sealing strip
Overview of the Heat Exchanger Sizing Process

The CC‐THERM module enables you to generate heat curves and specify heat
exchangers. This process involves the following steps:
1. Identify the tube‐side stream.
2. Generate and finalize the heat curve and properties on both sides of the
exchanger.
3. Define general information about the exchanger.
4. Specify any desired tube data.
5. Specify any desired shell data.
6. Specify any desired baffle data.
7. Specify any desired nozzle data.
8. Specify any desired specific clearances.
9. Specify the materials used in the construction of the heat exchanger.
10. Specify any desired miscellaneous data.
11. Run the sizing calculations.
12. Review results and create plots as needed.
Identify the Tube-side Stream

Once the simulation is complete in CC‐STEADY STATE, you can start sizing the first
heat exchanger by identifying the tube‐side stream:
1. Click on the first heat exchanger icon and then select Sizing > Heat
Exchangers > Shell & Tube.
2. A message box prompts you to select a stream entering the exchanger’s tube
side. Click OK to continue.
3. At the Select Streams dialog box, either type 1 or click stream 1 on the
flowsheet, then click OK.
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4. CC‐THERM displays data for all four streams around the exchanger in a
separate report window. Review or print the data as needed and then close
the report window.
Generate the Heat Curve

Once the tube‐side stream is identified, CC‐THERM prompts you through the setup
of the heat curve. The Heat Curve Parameters dialog box displays as soon as you
close the report from the previous step.

Figure 11-21: The Heat Curve Parameters dialog box
To account for the change in physical properties across the heat exchanger, CC‐
THERM divides the analysis into zones. These zones are thermodynamic segments
based on equal temperature changes or equal enthalpy increments. There are two
options to choose from:
• Equal enthalpy: Increments of equal enthalpy change
• Bubble‐dew point: Increments of equal enthalpy change between the dew
and bubble points, with separate zones for superheating and subcooling if
present
The default setting is the bubble‐dew point option. For either segmentation
method, you can also decide how many zones to calculate for the exchanger. The
more zones you specify, the more accurate the calculations will be, but calculations
will also be slower. The industry standard is 10 zones (11 points), which is the
default entry here, but you can select any number by making an entry in the
Number of cutting points field. Bear in mind that the number of points equals the
number of zones plus one.
For this tutorial, leave all the default settings and click OK to continue. CC‐
THERM calculates the 11 points needed for the heat curve and displays a plot like
the one shown in Figure 11‐22.
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Figure 11-22: Heat curve plot for first heat exchanger
This plot enables you to inspect the calculated heat curve for any obvious
problems in the setup of the analysis. Click OK to close this window and continue.
Define General Specifications

The next dialog box to appear is called General Specifications. Here, you can provide
basic information governing heat exchanger calculations, such as process type,
allowable pressure drop, fouling factor, TEMA class and type, and so forth.
This dialog box has two tabs, and most of the fields on both tabs have default
settings. The tab that initially displays is called General Information, and it includes
the following settings:
• Calculation mode: This entry determines whether you are designing or
rating a heat exchanger. Use the default setting of Rating.
• TEMA class/standard: This entry specifies the exchanger’s TEMA class,
which is primarily a function of its mechanical details. Use the default setting
of TEMA R.
• Orientation: This entry specifies whether the exchanger is mounted
horizontally or vertically. Use the default setting of Horizontal.
• TEMA front end head, TEMA shell type, and TEMA rear end head: To
establish the basic configuration of the exchanger, you must define these
characteristics of the exchanger according to TEMA designations. The
simplest and most common kind of exchanger is a fixed tubesheet, or BEM,
TEMA type. Select B ‐ Bonnet for the front head, E ‐One Pass for the shell
type, and M ‐ Fixed Tubesheet (B head) for the rear head.
• Process type: In some cases, you must identify the process type, for example
in the case of pool boiling or falling‐film condensation. In this case, use the
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default selection of Sensible Flow for both tube side and shell side, as there
is no phase change on either side of the exchanger.
• Fouling factor ‐ To allow for fouling on the inside and outside of the tube,
you can enter fouling factors. Use the default setting of 0.001 (English units)
on both sides.
On the Modeling Methods tab, you can select the formulas to be used in certain
aspects of the heat exchanger calculations. For the purposes of this tutorial, use the
program’s default selections. Click OK to continue.
Set Tube Specifications

The Tube Specifications dialog box now appears, populated with default entries in
all fields.

Figure 11-23: The Tube Specifications dialog box
Enter 646 in the Number of tubes field and click OK to continue.
Set Shell Specifications

The next dialog box to appear is called Shell Specifications.

Figure 11-24: The Shell Specifications dialog box
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The only value that you need to specify here is the shell diameter. Unless you
check the Use standard pipe as shell box, CC‐THERM assumes that the value
entered here is the actual shell inside diameter. Type 2.25 (the equivalent in feet to
27”) in the Shell diameter field and then click OK to continue.
Note: The CHEMCAD suite has a handy built‐in conversion feature that can help
when input fields require a different unit of measure than the data you have. Place
your cursor in any numeric data entry field, and then press [F6] to bring up a dialog
box that offers conversion units relevant to the selected field. Type the value you
have in the appropriate field and press [ENTER] to convert to other units. Verify the
results of the conversion and then click OK. CHEMCAD automatically selects the
appropriate units for the field and enters that converted value.
Set Baffle Specifications

The Baffle Specifications dialog box displays next.

Figure 11-25: The Baffle Specifications dialog box
Most of the default entries here are appropriate for this example; you do,
however, need to specify the baffle spacing and baffle cut.
Baffle Spacing
All that you know for the purposes of baffle spacing is that there are 10 baffles
equally spaced. Erase any default values for spacing and enter 10 in the Number of
baffles field. CC‐THERM will calculate equal spacing for the baffles.
Baffle Cut Percent

The baffle cut percent can be based either on diameter or on area. The Basis of cut
field identifies the basis for the specified cut; use the default setting of Diameter, and
enter 35 in the Baffle cut percent field. Click OK to continue.
Set Nozzle Specifications

The Nozzle Specifications dialog box now appears.
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Figure 11-26: The Nozzle Specifications dialog box
The default entries are acceptable for this example, so you only need to enter the
inside diameter for the inlet and outlet nozzles on both the tube and shell sides. All
of these nozzles have 1’ internal diameters.
Enter 1 in each of the four fields at the top of the dialog box, then click OK to
continue.
Set Clearance Specifications

You will now see the Clearance Specifications dialog box.

Figure 11-27: The Clearance Specifications dialog box
CC‐THERM always defaults to TEMA clearances, so normally no entry is
required in this dialog box. In this case, the clearances are known, so you should
enter them in the event they do not conform exactly to TEMA. You can use the [F6]
feature noted earlier in this tutorial to convert the given clearances from inches to
feet.
Also, because there is an impingement plate, you need to enter the space at the
top of the bundle. Type 0.233333 in the Space at Top of Bundle field and then click
OK to continue.
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Set Material Specifications

The next dialog box to appear is called Material Specifications.

Figure 11-28: The Material Specifications dialog box
Here, you can specify the materials of construction for the heat exchanger. For
this example, use the default entries: carbon steel for the tubes and A‐285‐C for all
other materials. Click OK to continue
Set Miscellaneous Specifications

The last dialog box to appear is called Miscellaneous Specifications.

Figure 11-29: The Miscellaneous Specifications dialog box
The only field that is important to this example is Rows per Sealing Strip. The
default entry of 5 is what the example calls for, so leave the dialog box as it is and
click OK to continue.
Run Sizing Calculations

Now that you have specified heat exchanger data in all of the required dialog boxes,
the Shell and Tube Exchanger menu appears. Note that this menu is what you will
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see if you return to shell and tube sizing for this exchanger at any time after this
initial specification.

Figure 11-30: The Shell and Tube Exchanger menu
Click the Calculate button on the menu. The calculation will run very fast,
showing runtime messages on the status bar and then returning you to the Shell and
Tube Exchanger menu.
Review Results and Create Plots

Now that calculations are complete, you can click the View Results button to see the
result of the heat exchanger calculations. The View Results menu will appear.

Figure 11-31: The View Results menu
Click any of these buttons to view various reports on everything from baffle
parameters to vibration analysis. When you select a report, the data displays in a
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separate window, which you can review or print and then close. To return to the
Shell and Tube Exchanger menu at any time, click the Exit button.
You can also display results graphically by clicking Plot. This opens the Plot
menu, from which you can select a variety of zone‐by‐zone graphs.

Figure 11-32: The Plot menu
These plots open in a plot window, just like the heat curve plot that you we saw
at the beginning of this tutorial. When you click OK to close any plot, you will return
to the Shell and Tube Exchanger menu.
You can also print tabulated, hard‐copy reports using the Select Reports and
Generate Reports options on the Shell and Tube Exchanger menu. First, click Select
Reports to bring up the Report Selection dialog box.

Figure 11-33: The Report Selection dialog box
Select either WordPad or Excel as your report viewer, and check the boxes for the
reports that you want to generate. Click OK to return to the Shell and Tube
Exchanger menu, then click Generate Reports. All of the reports that you selected
will be generated and displayed using the viewer that you chose.
You can now review or print the report; when you close the report window, you
will return to the Shell and Tube Exchanger menu. Click Exit to close the menu, then
click Yes when asked whether you want to save your changes.
CHEMCAD Tutorials
CC-BATCH Tutorial
This tutorial walks you through the process of using CC‐BATCH to simulate a batch
distillation column.
Description of the Problem

The simulation you will create is a five‐step batch distillation campaign, as
illustrated in Figure 11‐34. The objective is to separate 100 lb•mol of mixed propane,
butane, pentane, and hexane into three separate tanks, producing 99% pure butane.

Figure 11-34: The batch distillation flowsheet
The following are detailed specifications for this problem:
Thermodynamic Selections Column Specifications
• K-value: Peng‐Robinson • No. of internal stages: 8
• Enthalpy: Peng‐Robinson • No. of operations: 5
• Internal stage holdup: 0.01 ft3
• Condenser holdup: 0.1 ft3
• Condenser pressure: 14.7 psia
• Column pressure drop: 2 psia

Initial Charge Conditions Initial Charge Composition (mole frac)
• Temperature: Calculated • Propane: 0.1
• Pressure: 16.7 psia • N-Butane: 0.3
• Vapor Fraction: 0 at bubble point • N-Pentane: 0.1
• Total amount of charge: • N-Hexane: 0.5
100 lb•mol
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Operating Step 1 Operating Step 2
• Purpose: Propane removal • Purpose: Propane removal
• Reflux ratio: 5 • Reflux ratio: 20
• Distillate molar flow rate: 2 • Distillate molar flow rate: 2
• Stop when: Distillate mole • Stop when: Distillate mole fraction of
fraction of N‐Butane is 0.2 N‐Butane is 0.985
• Materials to be added at start: • Materials to be added at start: None
None

Operating Step 3 Operating Step 4
• Purpose: Butane production • Purpose: Pentane removal
• Reflux ratio: 25 • Reflux ratio: 15
• Distillate molar flow rate: 2 • Distillate molar flow rate: 2
• Stop when: Accumulator mole • Stop when: Distillate mole fraction of
fraction of N‐Butane is 0.99 N‐Hexane is 0.2
• Materials to be added at start: 20 • Materials to be added at start: None
lb•mol of mole fraction 40% N‐
Butane/60% N‐Hexane, at its
bubble point at 16.7 psia

Operating Step 5
• Purpose: Pentane removal
• Reflux ratio: 25
• Distillate molar flow rate: 2
• Stop when: Bottom mole fraction
of N‐Hexane is 0.9998
• Materials to be added at start:
None
Overview of the Batch Distillation Process

The process of building the flowsheet and simulating the batch distillation involves
the following steps:
1. Create a new simulation.
3. Draw the flowsheet.
4. Select the components.
5. Select thermodynamic options.
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6. Specify pot charge.
7. Specify the distillation column.
8. Define operating steps.
10. Review the results and print as needed.
Creating a New Simulation

Start by creating a new simulation and giving it a name.
To do this, launch CHEMCAD and then Select File > Save to open the Save As
dialog box. Navigate to the directory where you want to store the simulation (try My
Simulations, located under My Documents) and give your simulation a name,
leaving the type as CHEMCAD 6 (*.cc6). Then click Save to create the file and return
to the main CHEMCAD window.

Select Format > Engineering Units to open the Engineering Unit Selection dialog
box.
The English units option is the default and is currently highlighted. To change
the engineering units system, you would click the Alt SI, SI, or Metric button; you
could then change any of the individual units as well. For this tutorial, you will use
English units, so click Cancel to exit this dialog box without making changes.

As described in Chapter 5, creating a flowsheet is a matter of placing UnitOp icons
on the screen, connecting them with streams, and then adding various graphical
objects to enhance the drawing.
Placing UnitOps
Begin by placing the Batch Column unit on the screen.
1. On the All UnitOps palette, click the Batch column tool (see Figure 11‐35)
and then click in the main CHEMCAD workspace. The batch column icon
appears where you clicked.

Figure 11-35: The icon representing a batch column
2. Click the Tank tool (see Figure 11‐36). On the workspace, click to the right of
the batch column to place a tank icon. Then click just below the first tank, and
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click again below the second tank. When you have placed all three tanks on
the flowsheet, right‐click to deactivate the Tank tool.

Figure 11-36: The tank icon
3. Click the Product tool (see Figure 11‐37) and in similar fashion, place three
product arrows on the flowsheet, each one below and to the right of a tank
icon. Right‐click to deactivate the Product tool.

Figure 11-37: The product icon
Drawing Streams
Now that all of the UnitOps are in place, select the Stream tool and connect each
tank’s outlet to the nearest product arrow. These are the only streams that you need
for this tutorial.
Note: In this simulation, the batch distillation column transfers products to the tanks
based upon batch operation parameters that you provide. Stream connections
between the column and the tanks are not necessary, and are ambiguous given the
dynamic nature of such streams.
Remember that each stream must start at a red outlet point on the upstream
UnitOp, and end at a blue inlet point on the downstream UnitOp. To avoid having to
re‐select the Stream tool each time, make sure that as soon as you click to complete
one stream, you move the cursor to the next location and click to start the next
stream.
As you draw streams, CHEMCAD assigns stream IDs, just as it assigned UnitOp
IDs when you created those items. The labels for stream IDs are displayed in
squares, to distinguish them from the UnitOp IDs displayed in circles.
At this point, the flowsheet should look similar to Figure 11‐34.
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Selecting Components
Now you need to identify the components to be used in this simulation. Start by
selecting Thermophysical > Select Components.
For this example, you’ll choose components from the standard CHEMCAD
database. In the Select Components dialog box, find and add each needed
component.
1. Hold down the [CTRL] key on your keyboard as you click each of the
following components in turn:
• 4 Propane
• 6 N‐Butane
• 8 N‐Pentane
• 10 N‐Hexane
2. Click the right arrow button, located to the right of the Available Components
area, to add all of the selected components to your simulation. The Select
Components dialog box should now look like Figure 11‐38.

Figure 11-38: The completed Select Components dialog box
3. Save your component selections by clicking OK.
Selecting Thermodynamic Options

As soon as you have finished component selection, the Thermodynamics Wizard
appears. This tool can suggest thermodynamics options to use with this simulation.
CHEMCAD’s Thermodynamics Wizard works like this:
1. First, it looks at the component list and decides what general type of model is
required, i.e., equation‐of‐state, activity model, etc.
2. Second, it looks at temperature and pressure ranges that you provide and
decides which equation within a given category is best at the limits of those
ranges.
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3. If the method is an activity model, the program then looks at the BIP
database to see which model has the most data sets for the current problem.
It then calculates the fractional completeness of the BIP matrix. If that fraction
is greater than the BIP threshold parameter, it uses the chosen activity
method; if not, it uses UNIFAC.
The Thermodynamics Wizard is no replacement for engineering judgment. This tool
uses an algorithm based on general rules, and is therefore fallible. The suggested
model might not always be the best model for the system.
Selecting thermodynamic options basically means selecting a model or method
for calculating vapor‐liquid (or vapor‐liquid‐liquid) phase equilibrium (called the K‐
value option) and selecting a method or model for calculating the heat balance (called
the enthalpy option). The commands for these selections are located on the
Thermophysical menu.
CHEMCAD has a library of dozens of K‐value models with a variety of options
and about 12 enthalpy models. Making the proper selection from these libraries can
sometimes be difficult. For the purposes of this tutorial, assume that you want to use
the Peng‐Robinson method for both the K‐value and enthalpy calculations. Follow
these steps to select your thermophysical options:
1. Accept the default temperature and pressure ranges in the Thermodynamics
Wizard and click OK.
2. Click OK again to accept the wizard’s suggested method of SRK.
3. When the Thermodynamic Settings dialog box opens, find the Global K‐
Value Option selection, in the upper left corner of the K‐Value Models tab.
The current setting is SRK, but for the purposes of the tutorial, you’ll need to
select the Peng‐Robinson model. Click the down arrow at the right end of the
selection box to view a long list of K‐value choices, then click Peng‐
Robinson.

Figure 11-39: The new K-value selection in the Thermodynamic Settings dialog box
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4. Now click the Enthalpy Models tab. The Peng‐Robinson method has already
been entered as the Global Enthalpy Options selection; this was done
automatically because you chose Peng‐Robinson as your K‐value method.
While you do have the option to override this choice, in this case you’ll need
to keep the Peng‐Robinson model; leave all settings as they are and click OK
to return to the main CHEMCAD workspace.
For the purpose of this tutorial, the thermodynamic selections are now complete.
Note: While you are not required to use the Thermodynamics Wizard, you should
know how to use it, if only as a starting point for your simulations. You can revisit
the wizard at any time by selecting Thermophysical > Thermodynamics Wizard.
Specifying Pot Charge

Now that you have thermodynamics and components defined for this simulation,
and you have a batch column in the flowsheet, you can define the pot charge for the
column.
You will specify the pot charge according to the following rules:
• The Temp F, Pres psia, Vapor Fraction, and Enthalpy MMBtu/h fields are
the thermodynamic properties of the charge. According to the Gibbs Phase Rule,
once a mixture’s composition is given, specifying any two of these four
thermodynamic properties will define the other two. As such, defining the
composition, temperature, and pressure for a mixture uniquely defines its
vapor fraction and enthalpy. Alternatively, defining the composition,
pressure, and enthalpy will uniquely define the mixture’s temperature and
vapor fraction.
Since enthalpies are calculated relative to a datum, the calculation of any
given enthalpy is an involved process which is prone to errors. For this
reason, CHEMCAD does not permit you to enter enthalpy as a constraint.
In addition to defining the pot composition, you must define exactly two of
the following properties: temperature, pressure, and vapor fraction. The two
variables that you specify will display as red text, while the third variable
and the value enthalpy will be displayed in black when you flash the charge.
• The Total flow unit and Comp unit fields work together to provide a variety
of ways to define charge composition. If the selected comp unit is mole, mass,
or volume fraction (either globally or locally), then the Total flow unit
selection is available. If the selected comp unit is an amount option, then the
total charge becomes the sum of the component quantities, and the Total
flow unit selection is not available.
• If the Comp unit field selection is an amount unit (as opposed to a fractional
unit), then the component charge values are automatically added as you
enter them. The current sum is displayed in the Total flow field.
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• You can click the Flash button at any time to perform a flash calculation
using the currently specified composition and thermodynamic properties.
This enables you to obtain flash calculations quickly and without leaving the
dialog box.
• Fractions that do not add up to 1.0 are automatically normalized when you
either click Flash or exit the dialog box.
With these rules and behaviors in mind, enter the data for your pot charge:
1. Double‐click the batch column to open the Edit Batch Charge dialog box.

Figure 11-40: The Edit Batch Charge dialog box
2. In the Pres psia field, type 16.7, then press [TAB] and type 0 in the Vapor
Fraction field.
Note: It’s important that you actually type a 0 over the existing 0 entry in the Vapor
Fraction field. This tells CC‐BATCH that you are choosing to specify a vapor
fraction.
3. In the Comp unit field, select mole frac. You can now type a value of 100 in
the Total flow field.
4. Type 0.1 in the Propane field, and then in similar fashion, type the following
numbers in the corresponding fields:
• N‐Butane: 0.3
• N‐Pentane: 0.1
• N‐Hexane: 0.5
5. Click OK to save this charge information and continue.
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Specifying the Distillation Column

When you have specified the pot charge, CC‐BATCH displays the Batch Distillation
Column dialog box.

Figure 11-41: The Batch Distillation Column dialog box
Make the following entries on the General tab of this dialog box:
• Number of stages: 8
• Number of operation steps: 5
• Stage holdup: .01
• Condenser holdup: 1
• Cond pressure: 14.7
• Colm pres drop: 2
When you have entered these parameters, click OK to save the data and
continue.
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Defining the Operating Steps

When you have completed the initial column specification, the Batch Operation
Parameters dialog box appears.

Figure 11-42: The Batch Operation Parameters dialog box
In this dialog box, you’ll define the parameters for each operating step of the
batch campaign. Before you begin, you need to understand how CC‐BATCH handles
tank assignments.
The Product assignment fields identify the accumulator to which a product or
decant stream will be sent. You can use this option even if you do not place tanks on
the flowsheet; simply designating a UnitOp ID number is sufficient. In this case, it’s
important that you designate a UnitOp ID that is not already in use.
Since CC‐BATCH permits vapor‐liquid‐liquid distillation, there may be two
liquid phases in the condenser, possibly giving rise to decanting of one phase or the
other. The Distillate Tank # field entry represents the tank that accumulates the
distillate. The Decanter Tank # field entry represents the tank that accumulates the
decanted liquid, if any.
Operating Step 1
For operating step 1, make the following entries in the Batch Operation Parameters
dialog box:
• Change the Startup option field to 1 Start with total reflux.
• In the Product assignment area, enter 2 in the Distillate tank # field.
• In the First spec value field, enter 5 as the value of the reflux ratio.
• In the Second spec value field, enter 2.
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• In the Operation step stop options area, set the Stop when option to Distillate,
set the Measured variable option to Mole fraction, and enter 0.2 in the Stop
value field. In the Component field that now appears, select 2 N‐Butane.
• In the Min. runtime field, enter 0.5.
When you have made these entries, click OK to move on to the next operating
step.
Operating Step 2
dialog box:
• Enter 2 in the Distillate tank # field.
• Enter 20 in the First spec value field and 2 in the Second spec value field.
• Stop the operation when the mole fraction of N‐Butane in the distillate is
0.985.
When you have made these entries, click OK to move on to the next operating
step.
Operating Step 3
Follow these steps for operating step 3:
1. Make the following entries in the Batch Operation Parameters dialog box:
• Stop the operation when the mole fraction of N‐Butane in the
accumulator is 0.99.
2. Click the Additional Settings tab. Here you will specify the addition of 20
moles of mixture to the pot, with a composition of 40% butane and 60%
hexane. Check the Add material to pot box and then click OK to bring up the
Edit Batch Charge dialog box.
3. In the Pres psia field, type 16.7, then press [TAB] and type 0 in the Vapor
Fraction field.
4. Enter the following composition settings:
• Set the Comp unit field to mole frac.
• Enter 0.6 in the N‐Butane field.
• Enter 0.4 in the N‐Hexane field.
• Enter 20 in the Total flow field.
5. Click OK to continue to the next operating step.
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Operating Step 4
dialog box:
• Stop the operation when the mole fraction of N‐Hexane in the distillate is 0.2.
When you have made these entries, click OK to move on to the final operating
step.
Operating Step 5
dialog box:
• Stop the operation when the mole fraction of N‐Hexane in the residual
charge at the bottom of the column is 0.9998.
When you have made these entries, click OK to continue.
The Run Time Information Dialog Box

At the completion of the last operating step, the Run Time Information dialog box
displays. Here, you can choose which variables will be plotted when you run the
simulation.

Figure 11-43: The Run Time Information dialog box
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For this example, the default display—a plot of distillate mole fractions for all
four components—is what you want, so click OK to bring up the Batch Distillation
menu.

Figure 11-44: The Batch Distillation menu
This menu provides access to the entry screens for all defined operation steps, as
well as options for inserting, deleting, and copying operation steps. You might want
to review the operating steps and verify your entries before running the simulation.
When you are finished, click the Exit button to close the menu.

To run the simulation, click the Run All toolbar button. CC‐BATCH first checks the
input data for errors or omissions. You may see the following types of messages:
• Error messages must be fixed before the simulation can proceed. Under‐
specification of the batch column would be an example of this type of error.
• Warning messages are usually input omissions, which may or may not cause
problems upon execution. These are non‐fatal errors that do not necessarily
need to be corrected prior to simulation.
Assuming that you correctly specified the pot charge and subsequent operation
steps, you should see no messages; the program will proceed directly to the
calculation.
You will see the distillate mole fractions plotted on the screen in a plot window.
Each time the program proceeds to the next operating step, a new plot window will
open, along with a new tab at the bottom of the main CHEMCAD workspace.
During the run, only the current step’s plot is visible. When the simulation is
finished, the dynamic plot will quit scrolling and a Run finished message will appear
at the far left end of the CHEMCAD status bar.
After the run, you can view the plot for a particular operating step by clicking
the corresponding tab at the bottom of the CHEMCAD workspace. To close any
plot’s tab, click the Close button (marked with an X) on the tab. To close all of the
plot tabs at the same time, select Window > Close All Charts.
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Reviewing and Printing Results

Once the simulation is complete, you can review the results interactively before
printing a hard copy. The commands needed to do this are located in the Report and
Plot menus.
Plotting the Results

For batch calculations, the most convenient way to examine the output is to plot the
results. To do this, click your batch column UnitOp and then select Plot > Dynamic
Plots > Batch Column History.
This brings up the Batch Column Plots dialog box. From here, you can generate a
plot that encompasses the entire campaign. For example, you can follow these steps
to plot distillate mole fractions across all operating steps:
1. In the Plot variable field, select the 0 Mole fractions option.
2. In the Of the field, select the 3 Distillate option.
3. In the Components to plot area, use the first four fields to select the four
components found in the distillate.

Figure 11-45: The completed Batch Column Plots dialog box
4. Click OK to view the composite plot, which should resemble Figure 11‐46.
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Figure 11-46: Composite plot showing composition of distillate over time
Review or print the results as needed, and then close the plot tab to return to the
simulation.
Generating Text Reports

You can also view certain batch results in tabular format. To do this, select Report >
Batch Results. A summary of the results of this simulation displays in a separate
window. Review or print the results as needed, and then close the report window to
return to the main CHEMCAD window.
Generating a Full Report

The Report menu offers a broad array of text reports, as described in Chapter 8,
Output and Reports. For the purpose of this tutorial, assume that you want to view
and print out a report with the following information:
• Operating step results
• Batch column history
• Final batch column holdup
Because you want a report with a broad range of information about your
simulation, use the Consolidated Report option.
1. Select Report > Consolidated Report to bring up the Consolidated Report
menu.
2. Click Batch/Dynamic Results to open the Batch/Dynamic Options dialog
box. Select the first three options Print operation results, Print history, and
Print final holdups.
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Figure 11-47: The Batch/Dynamic Options dialog box
3. Click OK to return to the Consolidated Report menu.
4. To generate the report, click Calculate and Give Results. The report displays
in a separate window, with a format suitable for printing. You can edit, save,
and print the report as needed.
5. When you finish reviewing and working with the report, close the report
window to return to the main CHEMCAD workspace.
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Piping Tutorial
A piping network represents the flow of fluids through several pieces of equipment.
If sufficient variables (flow rate and pressure) are specified on the piping network,
CHEMCAD calculates the unknown variables.
For fluid flow through equipment, flow rate may be calculated as a function of
the inlet and outlet pressure. If you know any two of these three variables,
CHEMCAD can calculate the third.
In this tutorial, you will work with CHEMCAD’s piping features. You will
perform control valve and orifice sizing and rating; simulate complex piping
networks; use feedback controllers; calculate NPSH; and make appropriate
equipment selections.
Control Valve Sizing Example

This portion of the piping tutorial covers control valve sizing, control valves, and the
use of nodes.
Problem Statement
For this part of the tutorial, reference the flowsheet shown in Figure 11‐48. This
example is called Example 1, and it’s located in the My
Simulations\Examples\Piping folder.
D-1
-9F
225 psig
D-2
-1F
15 psig
D-3
-28F
0.2 psig

Figure 11-48: Diagram of control valve sizing example
You need to size control valves for handling a flow of 113,000 lb/hr of liquid
ammonia in each line coming from vessel D‐1. You must select properly‐sized valves
and then determine the percent open for each valve at the rated service.
To perform the initial sizing, all you need are streams with the correct properties
(see Figure 11‐49). It is not necessary to model the tanks.
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1
1 2

Figure 11-49: Streams for initial sizing
All three streams in Figure 11‐49 are at the inlet conditions of ‐9° F and 225 psig.
The divider splits the 226,000 lb/hr flow into two equal flows of 113,000 lb/hr of
ammonia.
To perform the initial sizing, follow these steps:
1. Click the Run All button on the main CHEMCAD toolbar to calculate the
flow information for streams 2 and 3. Both streams should be at ‐9° F, 225
psig, and 113,000 lb/hr of ammonia.
2. Click stream 2 to select it. The stream is selected when it is shown bracketed
by black squares. Select Sizing > Control Valve to bring up the Control Valve
Sizing dialog box.

Figure 11-50: The Control Valve Sizing dialog box
3. In the Downstream pressure field, enter 15. Click OK to display a control
valve sizing report in a separate window. CHEMCAD reports the properties
of the stream and the calculated parameters for the valve.
4. Repeat the procedure for stream 3, using a downstream pressure of 0.2 psig.
Rating Case
The next task is to rate these valves in a simulation. You need to determine the valve
position for these valves in this service at 113,000 lb/hr. Since this task models the
behavior of the control valves, you will need a slightly larger flowsheet, as shown in
Figure 11‐51.
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1 3
1 2
4
2
3 6
5

Figure 11-51: Flowsheet for rating valves in a simulation
The flash UnitOps at the end are not necessary; they are included to illustrate the
vapor and liquid flow rates in separate streams if flashing occurs.
The divider is still set to 113,000 lb/hr, and the flash tanks are set to the mode
called Specify T and P; calculate V/F and Heat. Flash UnitOp #2 is set to ‐1° F and 15
psig. Flash UnitOp #3 is set to ‐28° F and 0 .2 psig.
Follow these steps to rate the control valves:
1. Double‐click the icon for control valve #4 to open the Control Valve dialog
box.

Figure 11-52: The Control Valve dialog box
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2. In the Valve flow coefficient (Cv) field, enter 36. In the Downstream
pressure field, enter 15. Select the Operating mode option called Fix
flowrate, adjust valve position. Click OK.
3. Now double‐click the icon for control valve #5. For this valve, select the same
operating mode that you used for valve #4. Specify a valve flow coefficient of
54 and a downstream pressure of 0.2 psig, and then click OK.
4. Click the Run All button on the toolbar to run the simulation.
5. To view the results, first click a blank area of the CHEMCAD workspace to
ensure that no UnitOps are currently selected. Then select Report > UnitOps
> Select UnitOps.
6. In the Select UnitOps dialog box, type 4, press [RETURN], and then type 5.
Click OK to bring up a report for these two valves.
The report shows that valve #4 is at 72.5% open, and valve #5 is at 53.3% open.
To see how much vaporization occurs across valve #5, right‐click the valve and
select View Stream Properties. This volume change is why CHEMCAD chose a
larger valve for the second stream. With the vaporization occurring in the valve, a
smaller two‐inch valve body would be approaching sonic velocity through the valve
body.
Flow Rate as a Function of Pressure

In typical CHEMCAD simulations, information flows in one direction: downstream.
Upstream conditions determine the downstream conditions. In most simulations,
you simply set the flow rates and pressures of feed streams. Pressure drops are
either calculated based on flow or specified through UnitOps, and the downstream
pressures, flow rates, and so forth are calculated when you run the simulation.
For piping simulations, flow rate and pressure are dependent on each other. The
backpressure on valves, pipes, and other UnitOps affects the flow rate through the
valve. Likewise, the flow rate through a valve (or through a pipe or a pump)
determines the downstream pressure.
In flow models like the control valve sizing model, it is sometimes useful to let
flow rate vary as a function of the pressure. For example, suppose a process upset in
the system shown in Figure 11‐53 caused the pressure in vessel D‐2 to rise from 15
psig to 30 psig. Assuming the upset occurs faster than the valves react, what is the
new flow rate from D‐1?
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D-1
-9 F
225 psig
Cv =36 D-2
72.5 % open -1 F
30 psig (UPSET condition)
Cv =54
53.3% open D-3
-28F
0.2 psig

Figure 11-53: Vessel D-2 in an upset condition
To answer this question, you need a special UnitOp called a node. A node is a
point in the simulation that has a pressure, a flow coming in, and a flow going out.
The node units create a network, solving for flow rate at each point based on the
fixed pressures. Nodes are placed on the flowsheet immediately upstream and
downstream from each control valve. Figure 11‐54 shows the system with nodes in
place.
11 17
6 7 9
10 11 13 15
18
12
12
19
8 10
14 16
20

Figure 11-54: Nodes located upstream and downstream from control valves
The function of the divider—to split the incoming flow—is now handled by node
#6. The node will balance the flow rates so that all streams entering and exiting the
node are at the same pressure. Nodes are also placed between the flash vessels and
the control valves. At the nodes you can fix the pressures, and let the flow rate vary
as a function of valve position and pressure difference.
To see how these nodes are set up, you can double‐click node #6 to open the
Node dialog box.
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Figure 11-55: The Node dialog box
The fixed pressure at this node is 225 psig. The inlet flow mode is set to Free inlet
stream, and the two outlet streams are set to Flow set by UnitOp. The flow into each
control valve will be determined by the control valve opening position and the
pressure difference across the valve.
For node #9, the fixed pressure is set to 30 psig, and for node #10, the pressure is
0.2 psig. Flow into each of these nodes is controlled by the control valve using the
Flow set by UnitOp mode; flow out is set to Free Outlet stream.
The control valves need to be changed to fix the valve position and calculate flow
rate. To do this, set the Operating mode for each valve to Fix valve position, adjust
flowrate.
After making this change, click the Run All toolbar button to run the simulation.
After running, you can view the streams around node #6 by right‐clicking the node
and selecting View stream composition. The resulting report (Figure 11‐56) shows
that the flow rate for stream 11 (upstream from D‐2) has dropped from 113,000 lb/hr
to 109,138 lb/hr. This illustrates the effect of backpressure on the flow rates through
the valves.

Figure 11-56: Stream composition report for node #6
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Simple Flow Example

This portion of the piping tutorial covers control valve sizing, feedback controllers,
NPSH, orifice sizing/rating, pipe sizing/rating, and the Pipe UnitOp.
Problem Statement
The piping system shown must be designed to transport 120 gpm of glacial acetic
acid at 70‐140° F. The pressure at the inlet is known at 20 psia, and the outlet must be
no less than 20 psia. The piping system and its individual elements must be sized for
design conditions and then rated at operating conditions. The goal is to determine
the NPSHa and head requirements for future pump selection.

Figure 11-57: Piping isometric for this problem
This example is called Example 2, and it’s located in the located in the My
Creating the Simulation

Follow these steps to create and run this simulation:
1. Convert the piping isometric in Figure 11‐57 to a CHEMCAD flowsheet. Pipe
UnitOps are used to represent entire sections of piping, including fittings:
2. Select Sizing > Piping and select the applicable streams to bring up the Pipe
Sizing dialog box.
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Figure 11-58: The Pipe Sizing dialog box
3. Select the Typical sizing for single phase option and use standard schedule
40 pipe. Click OK to view a line sizing report for the selected stream.
Note: Since the fluid in this system is sub‐cooled liquid and all flows are constant,
this calculated line size should apply to all piping in the system. The exception is the
pump suction pipe, which as a general rule should be one size larger.
4. Select Sizing > Orifice and select the stream on the discharge side of the
pump. In the Orifice Sizing dialog box, select D and D/2 pressure taps, enter
3 as the pipe inside diameter, and enter 100 as the water differential pressure.
Click OK to bring up an orifice sizing report for the selected stream.
Note: Using the calculated bore hole, CHEMCAD determines the flow resistance
factor of the orifice as shown:
C = Cd /( (1 − β 4 )
1− β 2
Kr ≈ 2 4
C β
The orifice sizing report gives the Kr value, which you will use later in the Pipe
Sizing and Rating dialog box.
5. To size the control valve, select stream #1 and then select Sizing > Control
Valve. In the Downstream pressure field, enter 15, and select the Single‐seat
option. Since stream #1 is at 20 psia, you are simply sizing a control valve to
produce a pressure drop of 5 psi. Click OK to view a control valve sizing
report for the selected stream.
6. Double‐click control valve #4 to open the Control Valve dialog box. Enter the
valve flow coefficient (Cv) of the valve from the sizing report, set the valve
position to 50%, and set the operating mode to Fix flow and position,
calculate Pout. Click OK to save these settings and close the dialog box.
CHEMCAD Tutorials
7. Double‐click the heat exchanger icon to open the Simple Heat Exchanger
dialog box. Enter a pressure drop of 2 psi and set the outlet temperature to
140° F. Click OK to continue.
8. Tabulate and specify the valves, fittings, pipe lengths, and elevation changes
of each section of pipe. For all of these pipes, set the Method field to 2 Single
Phase flow, set the Sizing option to 0 Rating, and use flanged fittings
throughout.
Pipe #1 Pipe #3 (before control valve)
1 entrance, well rounded 1 swing check valve, clearway
2 ball valves 2 ball valves
4 standard elbows, 90‐degree 2 tee, flow‐through run
1 tee, flow‐through branch 1 orifice plate (as previously determined)
35 feet of piping 14 feet of piping
‐8’ elevation change 14’ elevation change

Pipe #5 (after control valve) Pipe #7 (after E‐1515)
2 ball valves 1 ball valve
2 tee, flow‐through run 4 standard elbows, 90‐degree
1 exit from pipe 1 well rounded entrance
24 feet of piping 1 exit from pipe
2’ foot elevation change 157 feet of piping
5’ elevation change

9. Specify the pump outlet pressure at some arbitrary value (try 25 psia) and
make a trial run. Check the calculated outlet pressure. You can then iterate to
find the required pump head.
Using Controllers to Simplify the Problem

While manually changing the pump outlet pressure will get you where you need to
be, it’s easier to let CHEMCAD do the work. The Controller UnitOp can adjust this
pressure for you.
A feedback controller in CHEMCAD has nothing to do with process control
valves or PID settings. In a CHEMCAD steady‐state model, the term feedback control
refers to a mathematical controller. It’s a math tool used to adjust a variable on a
flowsheet until a target value reaches a specified value.
Follow these steps to use a feedback controller to calculate the required outlet
pressure:
CHEMCAD Tutorials
1. Right‐click stream #8 and select Insert unit. Click OK at the pop‐up message
and then click the Controller tool in the All UnitOps palette.
2. Click near the existing stream to place a controller icon on the flowsheet. The
stream automatically re‐routes through this icon, as shown in Figure 11‐59.
8
7
9
7 8

Figure 11-59: Insertion of feedback controller
3. In the Controller dialog box, specify the following and then click OK:
• Controller mode: Feed‐backward
• Adjust this variable: Unitop, ID number 2, Variable 2 Output pressure
• Until this: Stream, ID number 8, Variable 2 Pressure
• Is equal to this target: Constant 20, Units 4 Pressure
When you run the simulation, the controller will automatically change the pump
outlet pressure until the pressure leaving the last pipe unit is equal to 20 psia. You
now know the head requirements for your pump.
Calculating NPSHA
The net positive suction head, better known as NPSH, is defined as the total pressure
available at the pump suction minus the pumping fluid’s vapor pressure. It is almost
always reported in feet of pumped fluid or water.
Every pump has a specified NPSH requirement (NPSHr) at a given operating
speed. To ensure reliable operation, the available NPSH (NPSHa) must be greater
than the NPSHr. If not, cavitation and shortened service life may result.
To select the appropriate pump, you need to calculate NPSHa. In CHEMCAD,
this is an easy task. Simply check the Calculate NPSHa box in the Pump dialog box,
and then run the simulation. Now when you pull up the Pump dialog box, the
calculated NPSHa is displayed.
Note: It is important to the NPSHa calculation that the inlet piping to the pump be
correctly specified. If the piping specifications are not complete, the pressure at the
inlet may not be accurate, leading to an inaccurate NPSHa calculation
CHEMCAD Tutorials
Branched Flow Example

This portion of the piping tutorial covers the Node UnitOp, pipe networks, pump
selection criteria, and Pump UnitOp performance curves.
Problem Statement
The previous piping system has been changed. Due to the branched flow to the two
heat exchangers, the problem is no longer a simple one.

Figure 11-60: Piping isometric showing branched flow
This example is called Example 3, and it’s located in the located in the My
The branched flow is a difficult problem to solve using the controller approach.
Both exchangers have different piping and therefore different flow rates. You need
an approach where you split and recombine flows, and have the simulation calculate
the pressure and flow rates in an iterative manner. The Node UnitOp gives you this
flexibility.
Remember that a node is a point where pressure is uniform. There may be
multiple inlets and outlets. The flow rates for each stream will be balanced by
CHEMCAD to reach a single pressure. You can specify the pressure or allow it to
vary.
Creating the Simulation

Convert the piping isometric to a CHEMCAD flowsheet, as shown in Figure 11‐61.
CHEMCAD Tutorials

Figure 11-61: The flowsheet representing this piping system
In CHEMCAD, Pipe UnitOps are used to represent entire sections of piping,
including fittings. Node UnitOps are placed where pressure or flow rate are
unknown.
For this example, assume a pressure drop of 2 psi across each heat exchanger.
Tabulate the valves, fittings, pipe lengths, and elevation changes of each section of
pipe. Use flanged fittings throughout.
Pipe #1 Pipe #2 (before control valve)
1 entrance, well rounded 1 swing check valve, clearway
2 ball valves 2 ball valves
4 standard elbows, 90‐degree 2 tee, flow through run
1 tee, flow through branch 1 orifice plate (as determined above)

Pipe #3 (after control valve) Pipe #4 (to E‐1514)
1 ball valve 1 tee, flow through branch
1 tee, flow through run 1 ball valve
2 standard elbows, 90‐degree 1 exit from pipe
10 feet of piping 3 standard elbows, 90‐degree
26 feet of piping
CHEMCAD Tutorials

Pipe #5 (from E‐1514) Pipe #6 (to E‐1515)
1 ball valve 1 ball valve
1 well rounded entrance 1 exit from pipe
1 tee, flow‐through branch 1 standard elbows, 90‐degree

Pipe #7 (from E‐1515) Pipe #8 (to V‐1522)
1 standard elbow, 90‐degree 3 standard elbows, 90‐degree
1 ball valve 1 exit from pipe
1 well rounded entrance 147 feet of piping
1 tee, flow‐through run
10 feet of piping

At this time you don’t know the pump specifications, so set the pump to Specify
Outlet Pressure and leave the pressure specification blank. The Node UnitOp will
solve for the pressure increase, and set the pump outlet pressure accordingly.
Set up the nodes with the following information:
• Node 3: Variable pressure, use current stream rate for inlet, flow set by
UnitOp for outlet, elevation = 20 feet
• Node 5: Variable pressure, flow set by UnitOp for both inlet and outlet,
elevation = 34 feet
elevation = 34 feet
elevation = 34 feet
elevation = 50 feet
elevation = 38 feet
elevation = 42 feet
• Node 20 (last node): Fixed pressure, 20 psia, flow set by UnitOp for inlet, free
outlet stream for outlet, elevation = 43 feet

To run the simulation, click the Run All button on the main CHEMCAD toolbar.
CHEMCAD Tutorials
Once the simulation has run, check the Pump UnitOp’s pressure increase. This
tells you the head requirements of the pump. Using this information and the flow
rate (120 gpm), you can consult a pump handbook to determine the correct pump
size.
Selecting a Pump
The following pump curve data is representative of the type of equipment that
would be appropriate for this application.
Pump Curve
90
80
1750 rpm
70
Head (ft)
60
50
1450 rpm
40
1150 rpm
30
20
0 40 80 120 160 200
Flow (gpm)

0.6
1450 rpm
0.55
1750 rpm
0.5
Efficiency
0.45
1150 rpm
0.4
0.35
0.3
0 40 80 120 160 200
Flow (gpm)

Figure 11-62: Combined pump curves for a sample pump
To enter this curve into your pump, open the Pump dialog box and select
Specify Performance Curve for the pump mode. This setting allows you to enter
multiple speed lines and an operating speed. For the purposes of this tutorial, enter 1
for the number of speed lines and set the pump speed to 1750 RPM. Click OK to
bring up the Performance Curve dialog box.
CHEMCAD Tutorials

Figure 11-63: The Performance Curve dialog box
Here you can enter as many points as you want to define your curve.
CHEMCAD will fit a quadratic equation to the points, creating a smooth curve fit for
your data.
Now that you have entered the pump performance curve, you must add node
UnitOps to the suction side of the pump to allow the flow rate to vary. In this way,
you can calculate the maximum flow rate of your system.
Index

.CC6 files, 29 CC‐DYNAMICS, 59
Adding a single component, 93 CC‐STEADY STATE tutorial, 122
Adding components to a simulation, 42 CC‐THERM tutorial, 144
All UnitOps palette, 37 CHEMCAD
Apply Component Changes dialog box, 96 Main menu, 23
Applying a template, 92 Toolbar, 23
Assigning objects to a layer, 87 Tutorials, 121
Attaching a simulation file to an e‐mail, 33 Getting help with, 14
Batch Reactor/DVSL History plot, 69 Installing, 7
Batch Results report, 79 Interface, 17
Binary LLE plot, 80 Licensing, 10
Binodal Plot, 80 Modules, 3
Binodal/Residue Curves plot, 80 Opening older files, 33
Building a basic simulation, 35 Overview, 1
Bulk Properties dialog box, 97 Products and features, 3
C++, using to create a custom mixing rule, 104 System requirements, 7
C++, using to create custom thermodynamics, 102 User components in, 30
Calling Chemstations, 15 CHEMCAD Coach pane, 27
Cases, saving, 32 CHEMCAD Dialog Editor, 101
CC‐BATCH tutorial, 154 CHEMCAD Explorer, introduced, 18
Index
CHEMCAD Symbol Editor, 98 Customizing thermodynamics, 102
CHEMCAD tutorials Data interfaces to CHEMCAD, 107
CC‐BATCH, 154 Data Map Execution Rules dialog box, 111
CC‐STEADY STATE, 122 Data Maps, creating, 108
CC‐THERM, 144 Databoxes, 82
Piping, 170 Default icon for UnitOp, 37
Chemical components, selecting, 41 Defining streams, 46
Chemstations web site, 15 Defining UnitOps, 47
Coach, 27 Deleting a template, 92
COM interfaces, 117 Dialog box, customizing, 101
Component Object Model (COM), 117 Dialog Editor utility, 101
Components Dist Curve Characterization dialog box, 96
Adding, 42 Distillation report, 78
Finding, 41 Dongle
Removing, 43 For CHEMCAD licensing, 10
Selecting, 41 Reprogramming, 12
Composite Curves plot, 80 Drawing a flowsheet, 36
Connecting streams to UnitOps, 38 Drawing streams on a flowsheet, 38
Consolidated reporting, 79 Drawing tools, 40
Control Valve Sizing dialog box, 54 Dynamic Column History plot, 69
Controller Convergence plot, 81 Dynamic Column History report, 69
Convergence Parameters dialog box, 62 Dynamic operation, setting up, 61
Costing calculations, customized, 100 Dynamic plots, 81
Creating a custom UnitOp dialog box, 101 Dynamic Run Time Schedule dialog box, 64
Creating a layer, 86 Dynamic simulation, running, 66
Creating a new simulation, 31 Dynamic simulations, strategies for, 61
Creating a template, 92 Dynamic Stream History plot, 69
Creating an Excel Data Map, 108 Dynamic Stream History report, 70
Creating custom components, 93 Dynamic UnitOp History report, 70
Creating Excel UnitOps, 113 Dynamics Menu, 63
Creating custom UnitOps, 100 Dynamics reports, 79
Curve Temperature Cut Ranges dialog box, 96 Dynamics
Custom components, 93 Additional input for, 60
Custom enthalpy model, 102 Defined, 59
Custom K‐value model, 102 Output, 68
Custom mixing rule, creating using VBA, 104 Plotting results, 69
Custom reaction, creating using VBA, 104 Recording streams and UnitOps, 65
Custom UnitOp icon Running one step at a time, 67
Creating, 98 Text‐based results, 69
Adding to a subpalette, 99 Toolbar buttons for, 62
Custom UnitOp, creating using VBA, 104 Edit Distillation Curves menu, 97
Custom UnitOps, creating, 100 Edit Feed Streams button, 46
Customized costing calculations, 100 Edit Stream Group dialog box, 73
Customizing CHEMCAD, 91 Edit Streams dialog box, 46
Customizing the CHEMCAD screen, 23 Ellipse tool, 40
Index
E‐mailing a simulation, 33 Line tool, 40
Engineering Unit Selection dialog box, 36 Locked for Editing dialog box, 31
Engineering units Low‐fidelity modeling, defined, 49
Changing for reports, 72 Main menu, 23
Selecting, 36 Manage Component Databases dialog box, 94
Enthalpy options, selecting, 44 Mass and Energy Balances report, 79
Equipment parameters, specifying, 47 Messages pane, 22
Equipment sizing, introduction, 50 Moving a pane, 25
Errors and Warnings tab, on Messages pane, 22 Moving UnitOp icons, 38
Example files, 30 Multi‐line tool, 40
Excel Data Map Editor, 108 My Simulations directory, 32
Excel Data Mapping feature, defined, 107 Neutral file import, 97
Excel Databox Settings dialog box, 84 New Component dialog box, 93
Excel range boxes, 84 New simulation, creating, 31
Excel UnitOps, creating, 113 Notes tab, on Messages pane, 23
Flowsheet databoxes, 82 Older CHEMCAD files, 33
Flowsheet templates, 91 Ole for Process Control (OLE), 114
Flowsheets, drawing, 36 OPC
Flowsheet‐based graphs, 80 Applications, 114
Global Enthalpy Option, 45 Compliance, 114
Global K Value Option, 45 Namespace, 116
Graphical reports, 80 Server operations, 115
Grid, 26 OPC server, using CHEMCAD as, 114
Groups Open command, 31
Stream, 72 Opening an existing simulation, 31
UnitOp, 76 Opening an older CHEMCAD file, 33
Heat Curves plot, 81 Palette pane, introduced, 20
Hiding a layer, 88 Palettes, customizing, 21
High‐fidelity modeling, defined, 49 Particle Size Distribution report, 76
Hydrocarbon Correlation dialog box, 96 PFD printing, 88
Icons, creating, 98 PFDs, 82
Installing CHEMCAD, 7 Phase Envelopes plot, 80
Job files, 29 Pinning and unpinning panes, 25
K‐value options, selecting, 44 Pipe Profile plot, 81
Layers, 85 Piping tutorial, 170
Assigning objects to, 87 Plots in CHEMCAD, 80
Creating, 86 Plots, dynamic, 81
Deleting, 88 Plotting dynamic results, 69
Hiding and viewing, 88 Plug Flow Reactor Profile plot, 81
Removing objects from, 88 Polygon tool, 40
License Settings screen, 11 Printing a process flow diagram, 88
Licensing CHEMCAD, 10 Printing CHEMCAD reports, 82
Licensing, for dynamics, 59 Process flow diagrams, 82
Licensing, for high‐fidelity modeling, 58 Properties, of streams, 46
Line sizing, 51 Pseudocomponent Curves plot, 81
Index
Pseudocomponent Curves report, 76 Selecting components, 41
Pseudocomponent range, defining, 96 Selecting engineering units, 36
Record Streams dialog box, 65 Selecting K‐value and enthalpy options, 44
Recording streams and UnitOps for dynamics, 65 Selective printing, 85
Rectangle tool, 40 Setting run time for dynamics, 63
Redo command, 26 Simulation files
Regress Component Properties menu, 95 Introduced, 29
Regressing data into a user‐added component, 95 Creating, 31
Relief device sizing, 57 E‐mailing, 33
Removing components from a simulation, 43 Opening, 31
Renaming a template, 92 Overview of building, 35
Report Format dialog box, 71 Saving, 32
Report setup, 71 Simulation, running, 48
Reports for dynamic simulations, 69 Single component, adding, 93
Reports Sizing, introduction, 50
Dynamics, 79 Spec sheet report, 77
Printing, 82 Spec sheets, output to Excel, 113
Stream compositions, 74 Specifying UnitOps, 47
Stream properties, 75 Starting a new simulation, 31
UnitOp‐based, 76 Stream boxes, 82
Reprogramming a dongle, 12 Stream composition reports, 74
Re‐routing a stream, 39 Stream composition, viewing, 75
Reset to Initial State button, 67 Stream groups, creating, 72
Residue Curves plot, 80 Stream Properties plot, 80
Resizing a pane, 24 Stream property reports, 75
Resizing UnitOp icons, 38 Streams
Results, reviewing, 48 Drawing on a flowsheet, 38
Reviewing run results, 48 Defining, 46
Routing streams, 39 Re‐routing, 39
Run from Current State button, 66 Switching to dynamics, 61
Run from Initial State button, 66 Symbol Editor utility, 98
Run time, setting, 63 Symbols, creating, 98
Run Trace tab, on Messages pane, 22 Technical support, contacting, 15
Running a dynamic simulation, 66 Templates
Running a simulation, 48 Applying, 92
Save As command, 32 Creating, 92
Save as Initial State button, 68 Defined, 91
Saving a simulation, 32 Deleting, 92
Saving different cases, 32 Renaming, 92
Search for UnitOp(s) field, 21 Text reports, 71
Search Options dialog box, 42 Text tool, 40
Select Components dialog box, 41 Thermodynamic Settings dialog box, 45
Select Data Map dialog box, 111 Thermodynamics report, 78
Select Destination Database dialog box, 94 Thermodynamics settings, manually selecting, 45
Select Single Component dialog box, 95 Thermodynamics Wizard, 44
Index
Thermodynamics, customizing, 102 UnitOp‐based plots, 81
Thermophysical data graphs, 80 UnitOp‐based reports, 76
Toolbar, 23 Update Simulation Format dialog box, 34
Topology report, 78 Updating a CHEMCAD license, 12
Tower Profiles plot, 81 User‐specified file, plotting, 81
TP boxes, 83 Valve Tray dialog box, 55
TPXY plot, 80 VBA
Tray Sizing dialog box, 55 Custom mixing rules, 104
Undo command, 26 Custom reactions, 104
UnitOp boxes, 83 Custom UnitOps, 104
UnitOp dialog box, customizing, 101 Using to customize CHEMCAD, 104
UnitOp groups, creating, 76 VBA‐defined mixing rule, using, 106
UnitOp icons VBA‐defined reaction, using, 105
Creating customized, 98 VBA‐defined UnitOp, using, 106
Manipulating, 38 Vessel Sizing dialog box, 53
UnitOps View Property Options dialog box, 75
Adding to a flowsheet, 36 View/Edit Component Data menu, 94
Selecting default icon for, 37 Viewing a layer, 88
Listing of all available, 5 Web site for Chemstations, 15
Specifying, 47 Zoom Options menu, 27

All material © 2007 Chemstations, Inc.

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CHEMCAD Version 6

Chapter 11 – CHEMCAD Tutorials ................................................................................................... 121

Review Results and Create Plots .................................................................................................. 152

Overview of CHEMCAD and Its Uses

CHEMCAD Products and Features

CHEMCAD Features by Module

* These UnitOps will be phased out eventually.

Installing the Software

Types of CHEMCAD Licenses

Getting Help with CHEMCAD

The Chemstations Web Site

Contacting Chemstations Technical Support

The CHEMCAD Window

The CHEMCAD Explorer Pane

The Recent Files Tab

The Simulation Tab

The Visual Basic Tab

The Palette Pane

The Messages Pane

The Errors and Warnings Tab

The Run Trace Tab

The Notes Tab

The Main Menu

Customizing the CHEMCAD Screen

Viewing and Hiding Screen Elements

Resizing and Moving Items

Pinning and Unpinning Panes

Other Useful Interface Hints

Undo and Redo

Adjusting Your View of the Workspace

The CHEMCAD Coach Pane

About CHEMCAD Simulation Files

User Components in CHEMCAD

Opening an Existing Simulation

Creating a New Simulation

Saving Different Cases for the Same Simulation

Working with CHEMCAD Files from Previous Versions

Starting a New Simulation

Selecting Engineering Units

Drawing the Flowsheet

Selecting a Default Icon for a UnitOp

Manipulating UnitOp Icons

Drawing and Connecting a Stream

Choosing a Stream Route

Other Drawing Tools

The Text Tool

Simple Drawing Tools: Rectangle, Ellipse, and Line

Complex Drawing Tools: Multi-line and Polygon

Selecting Chemical Components

Changing the Order of Selected Components

Removing Items from the Selected Components List

Selecting K-value and Enthalpy Options

Using the Thermodynamics Wizard

Selecting Components to Ignore

Specifying Process Conditions

How the Thermodynamics Wizard Makes Suggestions

Should the Thermodynamics Wizard be trusted to make design decisions?

Manually Selecting Thermodynamics Settings

Total Flow Properties

Specifying Equipment Parameters