Process Synthesis and Design

Process Modeling, Simulation & Optimization
Part-A. Process Modeling, Simulation, and Optimization
Process modeling clearly plays a central role in Process Systems Engineering as it provides a
framework based on mathematical modeling for predicting and optimizing the performance
of chemical process systems.
We have organized the papers in Part-A. Process Modeling, Simulation, and Optimization
in the following subsections:
 First Principles-Based Modeling and Simulation

 Empirical or Semi-Empirical Modeling
 Modeling Thermophysical Properties
 Numerical Methods for Steady State or Dynamic Simulation
 Optimization Algorithms and Applications
 Analysis of Process Behavior
Read More on Part A
First Principles-Based Modeling and Simulation
A computational model for predicting and correlating the behavior of fixed-bed reactors: I.
Derivation of model for nonreactive systems
Volume 6, Issue 4, pages 656–663, December 1960
H. A. Deans, Leon Lapidus
Mathematical models of the monolith catalytic converter: Part I. Development of model and
application of orthogonal collocation
Volume 22, Issue 2, pages 331–343, March 1976
Larry C. Young, Bruce A. Finlayson
Distributed pore-size model for sulfation of limestone

Volume 29, Issue 3, pages 388–395, May 1983
P. G. Christman, T. F. Edgar
Multicomponent separation calculations by linearization

Volume 17, Issue 1, pages 148–153, January 1971
Leonard M. Naphtali, Donald P. Sandholm
An analysis of the equilibrium stage separations problem—formulation and convergence

Volume 10, Issue 5, pages 698–707, September 1964
John R. Friday, Buford D. Smith
A multicomponent film model incorporating a general matrix method of solution to the

Maxwell-Stefan equations
Rajamani Krishna, G. L. Standart
A nonequilibrium stage model of multicomponent separation processes. Part I: Model
description and method of solution
R. Krishnamurthy, R. Taylor
A nonequilibrium stage model of multicomponent separation processes. Part II: Comparison

with experiment
R. Krishnamurthy, R. Taylor
Heterogeneous azeotropic distillation: Experimental and simulation results

Volume 33, Issue 8, pages 1300–1314, August 1987
J. W. Kovach III, W. D. Seider
Mathematical modeling and numerical integration of multicomponent batch distillation

equations
G. P. Distefano
Modeling crystal shapes of organic materials grown from solution

Volume 46, Issue 7, pages 1348–1367, July 2000
Daniel Winn, Michael F. Doherty
Empirical or Semi-Empirical Modeling
Model discrimination and parameter estimation in heterogeneous catalysis

Volume 21, Issue 6, pages 1041–1057, November 1975
G. F. Froment
Parameter estimation from multiresponse data

Warren E. Stewart, Mike Caracotsios, Jan P. Sørensen
Reduced-order steady-state and dynamic models for separation processes. Part I.

Development of the model reduction procedure
Y. S. Cho, B. Joseph
Input-output linearization of general nonlinear processes

Michael A. Henson, Dale E. Seborg
Use of Hammerstein models in identification of nonlinear systems

Volume 37, Issue 2, pages 255–268, February 1991
Esref Eskinat, Stanley H. Johnson, William L. Luyben
Estimation of nonlinear systems using linear multiple models

A. Banerjee, Y. Arkun, B. Ogunnaike, R. Pearson
Equation-free: The computer-aided analysis of complex multiscale systems
Ioannis G. Kevrekidis, C. William Gear, Gerhard Hummer
A hybrid neural network-first principles approach to process modeling

Volume 38, Issue 10, pages 1499–1511, October 1992
Dimitris C. Psichogios, Lyle H. Ungar
Wave-net: a multiresolution, hierarchical neural network with localized learning

Bhavik R. Bakshi, George Stephanopoulos
Modeling chemical processes using prior knowledge and neural networks

Michael L. Thompson, Mark A. Kramer
Reducing data dimensionality through optimizing neural network inputs

Volume 41, Issue 6, pages 1471–1480, June 1995
Shufeng Tan, Michael L. Mayrovouniotis
Process modeling using stacked neural networks

Dasaratha V. Sridhar, Richard C. Seagrave, Eric B. Bartlett
Modeling Thermophysical Properties
A general correlation of vapor-liquid equilibria in hydrocarbon mixtures

K. C. Chao, J. D. Seader
Thermodynamic consistency using orthogonal collocation or computation of equilibrium

vapor compositions at high pressures
Lars J. Christiansen, Aage Fredenslund
Evaluation of parameters for nonlinear thermodynamic models

T. F. Anderson, D. S. Abrams, E. A. Grens II
Local composition model for excess Gibbs energy of electrolyte systems. Part I: Single
solvent, single completely dissociated electrolyte systems
Chau-Chyun Chen, H. I. Britt, J. F. Boston, L. B. Evans
A local composition model for the excess Gibbs energy of aqueous electrolyte systems
Chau-Chyun Chen, L. B. Evans
Thermodynamic representation of phase equilibria of mixed-solvent electrolyte systems
Bill Mock, L. B. Evans, Chau-Chyun Chen
New group contribution method for estimating properties of pure compounds

Leonidas Constantinou, Rafiqul Gani
Estimation of pure compound properties using group-interaction contributions

Jorge Marrero-Morejón, Eladio Pardillo-Fontdevila
Numerical Methods for Steady State or Dynamic Simulation
Structuring design computations

J. H. Christensen, D. F. Rudd
A new simulation method for equilibrium stage processes

John F. Tomich
Steady state chemical process simulation

R. L. Motard, M. Shacham, E. M. Rosen
An efficient general purpose method for the intergration of stiff ordinary differential
equations
Michael L. Michelsen
Modeling of combined discrete/continuous processes

P. I. Barton, C. C. Pantelides
Computer generation of reaction schemes and rate equations for thermal cracking
L. P. Hillewaert, J. L. Dierickx, G. F. Froment
New discretization procedure for the breakage equation

Priscilla J. Hill, Ka M. Ng
Multiscale integration hybrid algorithms for homogeneous–heterogeneous reactors

D. G. Vlachos
Optimization Algorithms and Applications

Optimization by direct search and systematic reduction of the size of search region
Rein Luus, T. H. I. Jaakola
A new approach to optimization of chemical processes

T. J. Berna, M. H. Locke, A. W. Westerberg
A mixed-integer nonlinear programming algorithm for process systems synthesis

Volume 32, Issue 4, pages 592–606, April 1986
M. A. Duran, I. E. Grossmann
Process optimization via simulated annealing: Application to network design

W. B. Dolan, P. T. Cummings, M. D. LeVan
Global optimization of mixed-integer nonlinear problems

C. S. Adjiman, I. P. Androulakis, C. A. Floudas
On the optimization of differential-algebraic process systems

J. E. Cuthrell, L. T. Biegler
Large-scale DAE optimization using a simultaneous NLP formulation

A. Cervantes, L. T. Biegler
Computation of phase and chemical equilibrium: Part I. Local and constrained minima in
Gibbs free energy
Rajeev Gautam, Warren D. Seider
Global optimization for the phase stability problem

Conor M. McDonald, Christodoulos A. Floudas
Model reduction for chemical kinetics: An optimization approach

Linda Petzold, Wenjie Zhu
Analysis and design of metabolic reaction networks via mixed-integer linear optimization
Vassily Hatzimanikatis, Christodoulos A. Floudas, James E. Bailey
Efficient sampling technique for optimization under uncertainty

Urmila M. Diwekar, Jayant R. Kalagnanam
Analysis of Process Behavior

On the stability of a detailed packed-bed reactor
M. L. McGuire, Leon Lapidus
Computational studies of transients in packed tubular chemical reactors

J. E. Crider, A. S. Foss
Qualitative simulation of chemical process systems: Steady-state analysis

Olayiwola O. Oyeleye, Mark A. Kramer
Stochastic analysis of a three-phase fluidized bed: Fractal approach

L. T. Fan, D. Neogi, M. Yashima, R. Nassar
Multiple steady states in ideal two-product distillation

Elling W. Jacobsen, Sigurd Skogestad
The curious behavior of homogeneous azeotropic distillation—implications for entrainer

selection
L. Laroche, N. Bekiaris, H. W. Andersen, M. Morari
Process Synthesis and Design

Part-B. Process Synthesis and Design
Process synthesis and design lie at the heart of Process Systems Engineering as they deal with
the basic question on how to select the topology and parameters of process systems.
We have organized the papers in Part-B. Process Synthesis and Design in the following
subsections:
 Review
 Synthesis of Chemical Processes
 Synthesis of General Separations
 Synthesis/Design of Distillation Systems
 Synthesis/Design of Energy Exchange Networks
 Synthesis of Distillation Systems with Energy Integration
 Other Process Synthesis and Design Problem
 Process Design Under Uncertainty/Flexibility/Resilience
 Product/Molecules Design
Read More on Part B
Review
A review of process synthesis

Volume: 27, Issue: 3, Pages: 321–351, May 1981
Naonori Nishida, George Stephanopoulos, A. W. Westerberg
Synthesis of Chemical Processes
The synthesis of system designs: I. Elementary decomposition theory

Volume: 14, Issue: 2, Pages: 343-349, March 1968
Dale F. Rudd
The synthesis of system designs. II. Heuristic structuring

Volume: 15, Issue: 1, Pages: 10-17, January 1969
A. H. Masso, D. F. Rudd
Synthesis of system designs: III. Toward a process concept generator

Volume: 17, Issue: 3, Pages: 677-682, May 1971
J. J. Siirola, G. J. Powers, D. F. Rudd
Synthesis in the design of chemical processes

J. E. Hendry, D. F. Rudd, J. D. Seader
A hierarchical decision procedure for process synthesis

J. M. Douglas
Generalized modular representation framework for process synthesis

Volume: 42, Issue: 4, Pages: 1010-1032, April 1996
Katerina P. Papalexandri, Efstratios N. Pistikopoulos
Synthesis of General Separations
Systematic synthesis of separation schemes

Volume: 18, Issue: 5, Pages: 941-948, September 1972
Roger W. Thompson, C. Judson King
A combined heuristic and evolutionary strategy for synthesis of simple separation sequences
Volume: 23, Issue: 6, Pages: 951-954, November 1977
J. D. Seader, A. W. Westerberg
Evolutionary synthesis of separation processes

Volume: 27, Issue: 4, Pages: 578-587, July 1981
R. Nath, R. L. Motard
Separation synthesis of multicomponent feed streams into multicomponent product streams
C. A. Floudas
Synthesis of mass exchange networks

Volume: 35, Issue: 8, Pages: 1233-1244, August 1989
Mahmoud M. El-Halwagi, Vasilios Manousiouthakis
Simultaneous synthesis of mass-exchange and regeneration networks

Mahmoud M. El-Halwagi, Vasilios Manousiouthakis
Synthesis/Design of Distillation Systems
Distillation with secondary reflux and vaporization: A comparative evaluation

R. S. H. Mah, J. J. Nicholas Jr., R. B. Wodnik
Parametric studies in industrial distillation: Part I. Design comparisons

D. William Tedder, Dale F. Rudd
Improving distillation column design using thermodynamic availability analysis

R. E. Fitzmorris, R. S. H. Mah
Feasible specifications in azeotropic distillation

G. J. Prokopakis, W. D. Seider
Mass/heat-exchange network representation of distillation networks

Miguel J. Bagajewicz, Vasilios Manousiouthakis
Feasibility of separations for distillation of nonideal ternary mixtures

Z. T. Fidkowski, M. F. Doherty, M. F. Malone
Effect of kinetics on residue curve maps for reactive distillation

Ganesh Venimadhavan, George Buzad, Michael F. Doherty, Michael F. Malone
Synthesis of nonequilibrium reactive distillation processes by MINLP optimization

Amy R. Ciric, Deyao Gu
Azeotropic distillation
Soemantri Widagdo, Warren D. Seider
Shortcut methods for nonideal multicomponent distillation: I. Simple columns
Volume: 44, Issue: 10, Pages: 2181-2198, October 1998
J. Bausa, R. v. Watzdorf, W. Marquardt
Structure of distillation regions for multicomponent azeotropic mixtures

Volume: 44, Issue: 6, Pages: 1382-1391, June 1998
Raymond E. Rooks, Vivek Julka, Michael F. Doherty, Michael F. Malone
Feasibility of extractive distillation in a batch rectifier

Z. Lelkes, P. Lang, B. Benadda, P. Moszkowicz
Synthesis/Design of Energy Exchange Networks
Topics in computer-aided design: Part II. Synthesis of optimal heat exchanger networks by
tree searching algorithms
T. K. Pho, L. Lapidus
Studies in chemical process design and synthesis: III. A Simple and practical approach to the
optimal synthesis of heat exchanger networks
N. Nishida, Y. A. Liu, Leon Lapidus
Synthesis of heat exchanger networks: I. Systematic generation of energy optimal networks

Bodo Linnhoff, John R. Flower
Synthesis of heat exchanger networks: II. Evolutionary generation of networks with various
criteria of optimality
Bodo Linnhoff, John R. Flower
Heat and power networks in process design. Part I: Criteria for placement of heat engines and
heat pumps in process networks
D. W. Townsend, Bodo Linnhoff
Heat and power networks in process design. Part II: Design procedure for equipment
selection and process matching
D. W. Townsend, Bodo Linnhoff
Automatic synthesis of optimum heat exchanger network configurations

Volume: 32, Issue: 2, Pages: 276-290, February 1986
C. A. Floudas, A. R. Ciric, I. E. Grossmann
Simultaneous optimization and heat integration of chemical processes

M. A. Duran, I. E. Grossmann
Synthesis of Distillation Systems with Energy Integration
Synthesis strategies for multicomponent separation systems with energy integration

Ram N. S. Rathore, Kenneth A. Van Wormer, Gary J. Powers
Synthesis of distillation systems with energy integration

Ram N. S. Rathore, Kenneth A. Vanwormer, Gary J. Powers
A thermodynamic approach to heat integration in distillation systems

Tomio Umeda, Kazuo Niida, Katsuo Shiroko
A simple synthesis method based on utility bounding for heat-integrated distillation

sequences
M. J. Andrecovich, A. W. Westerberg
An MILP formulation for heat-integrated distillation sequence synthesis

M. J. Andrecovich, A. W. Westerberg
Thermally coupled system of distillation columns: Optimization procedure

Zbigniew Fidkowski, Lechoslaw Krolikowski
Other Process Synthesis and Design Problems
Process synthesis concepts for supercritical gas extraction in the crossover region
Volume: 32, Issue: 10, Pages: 1665-1676, October 1986
E. H. Chimowitz, K. J. Pennisi
Synthesis of reverse-osmosis networks for waste reduction

Mahmoud M. El-Halwagi
Attainable regions for reaction with separation

Alberto Nisoli, Michael F. Malone, Michael F. Doherty
Impact of process design on the multiplicity behavior of a jacketed exothermic CSTR

Louis P. Russo, B. Wayne Bequette
Optimal design for flow uniformity in microchannel reactors

J. M. Commenge, L. Falk, J. P. Corriou, M. Matlosz
Process Design Under Uncertainty/Flexibility/Resilience

Optimum design of chemical plants with uncertain parameters
I. E. Grossmann, R. W. H. Sargent
Optimal process design under uncertainty

K. P. Halemane, I. E. Grossmann
An index for operational flexibility in chemical process design. Part I: Formulation and
theory
R. E. Swaney, I. E. Grossmann
An index for operational flexibility in chemical process design. Part II: Computational
algorithms
R. E. Swaney, I. E. Grossmann
Optimal design of dynamic systems under uncertainty

M. Jezri Mohideen, John D. Perkins, Efstratios N. Pistikopoulos
Integrated flexibility and controllability analysis in design of chemical processes

Parisa A. Bahri, Jose A. Bandoni, Jose A. Romagnoli
Product/Molecules Design
A group contribution approach to computer-aided molecular design

Rafiqul Gani, Bjarne Nielsen, Aage Fredenslund
Computer-aided molecular design of solvents for separation processes

Eduardo J. Pretel, Patricio Araya López, Susana B. Bottini, Esteban A. Brignole
Product design through multivariate statistical analysis of process data

Christiane M. Jaeckle, John F. Macgregor
Process Identification, State Estimation and Control

Part-C. Process Identification, State Estimation and Control
As the academic research and industrial applications in process control evolved from the
servo-regulator theory and practice, AIChE Journal has played a very important role in
defining the scope and methodologies of modern process control.
We have organized the papers in Part-C. Process Identification, State Estimation and
Control in the following subsections:
 Critiques and Reviews

 Synthesis of Control Structures and Plantwide Control
 Design of Linear Control Systems
 Design of Nonlinear Control Systems
 Process Identification, State Estimation and Inferential Control
 Other Controller Tuning
 Control of Batch Processes
 Controllers for Specific Processing Systems
Read more on Part C
Critiques and Reviews
Critique of chemical process control theory

A. S. Foss
Advanced control practice in the chemical process industry: A view from industry
Wooyoung Lee, Vern W. Weekman Jr.
Adaptive control strategies for process control: A survey

D. E. Seborg, T. F. Edgar, S. L. Shah
Control of nonlinear distributed process systems: Recent developments and challenges

Panagiotis D. Christofides
Synthesis of Control Structures and Plantwide Control
Studies in the synthesis of control structures for chemical processes: Part I: Formulation of
the problem. Process decomposition and the classification of the control tasks. Analysis of
the optimizing control structures
Manfred Morari, Yaman Arkun, George Stephanopoulos
Studies in the synthesis of control structures for chemical processes: Part II: Structural
aspects and the synthesis of alternative feasible control schemes
Manfred Morari, George Stephanopoulos
Studies in the synthesis of control structures for chemical processes: Part III: Optimal
selection of secondary measurements within the framework of state estimation in the
presence of persistent unknown disturbances
Manfred Morari, George Stephanopoulos
Synthesis of decentralized process control structures using the concept of block relative gain
Vasilios Manousiouthakis, Robert Savage, Yaman Arkun
Plantwide control design procedure

Michael L. Luyben, Bjorn D. Tyreus, William L. Luyben
Design of Linear Control Systems
Multivariable controller design for linear systems having multiple time delays
B. A. Ogunnaike, W. H. Ray
High-Performance multivariable control strategies for systems having time delays

Volume 32 Issue 6, pages 914–931, June 1986
N. F. Jerome, W. H. Ray
Design of multivariable linear-quadratic controllers using transfer functions

T. J. Harris, J. F. Macgregor
Stability of SISO quadratic dynamic matrix control with hard output constraints
Evanghelos Zafiriou, André L. Marchal
Model predictive control with linear models

Kenneth R. Muske, James B. Rawlings
Robust stability analysis of constrained l1-norm model predictive control

Hasmet Genceli, Michael Nikolaou
Disturbance models for offset-free model-predictive control

Gabriele Pannocchia, James B. Rawlings
Microscopic/stochastic timesteppers and “coarse” control: A KMC example

C. I. Siettos, A. Armaou, A. G. Makeev , I. G. Kevrekidis
Design of Nonlinear Control Systems
Synthesis of feedforward/state feedback controllers for nonlinear processes

Prodromos Daoutidis, Costas Kravaris
Nonlinear state feedback synthesis by global input/output linearization
Costas Kravaris, Chang-Bock Chung
Nonlinear inferential control

J. R. Parrish, C. B. Brosilow
Deadtime compensation for nonlinear processes

Costas Kravaris, Raymond A. Wright
Synthesis of multivariable nonlinear controllers by input/output linearization

Costas Kravaris, Masoud Soroush
Feedforward/feedback control of multivariable nonlinear processes

Prodromos Daoutidis, Masoud Soroush, Costas Kravaris
An internal model control strategy for nonlinear systems

Michael A. Henson, Dale E. Seborg
Nonlinear predictive control of uncertain processes: Application to a CSTR

Phani B. Sistu, B. Wayne Bequette
Nonminimum-phase compensation for nonlinear processes

Raymond A. Wright, Costas Kravaris
Control of nonlinear systems using polynomial ARMA models

Evelio Hernández, Yaman Arkun
Feedback control of nonlinear differential-algebraic-equation systems

Aditya Kumar, Prodromos Daoutidis
Feedback control of hyperbolic PDE systems

Panagiotis D. Christofides, Prodromos Daoutidis
Nonlinear model reduction for control of distributed systems: A computer-assisted study

Stanislav Y. Shvartsman, Ioannis G. Kevrekidis
Nonlinear control of particulate processes
Timothy Chiu, Panagiotis D. Christofides
Coordinating feedback and switching for control of hybrid nonlinear processes

Nael H. El-Farra, Panagiotis D. Christofides
Robust nonlinear model predictive control of batch processes

Zoltan K. Nagy, Richard D. Braatz
Process Identification, State Estimation and Inferential Control
The use of secondary measurements to improve control

Richard Weber, Coleman Brosilow
Inferential control of processes: Part I. Steady state analysis and design

Babu Joseph, Coleman B. Brosilow
On-line inference of polymer properties in an industrial polyethylene reactor

K. B. McAuley, J. F. MacGregor
Optimal estimation of cell movement indices from the statistical analysis of cell tracking data
Richard B. Dickinson, Robert T. Tranquillo
Adaptive multirate state and parameter estimation strategies with application to a bioreactor
Ravindra D. Gudi, Sirish L. Shah, Murray R. Gray
A moving horizon-based approach for least-squares estimation

Douglas G. Robertson, Jay H. Lee, James B. Rawlings
Optimal selection of measuring points in complex plants by linear models

František Madron, Vladimír Veverka
Controller Tuning
A new method for on-line controller tuning

Minta Yuwana, Dale E. Seborg
Theory and application of an extended horizon self-tuning controller
B. E. Ydstie, L. S. Kershenbaum, R. W. H. Sargent
A simple method for on-line identification and controller tuning

Cheng-Liang Chen
Use of relay-feedback test for automatic tuning of multivariable systems

Shih-Haur Shen, Cheng-Ching Yu
PID controller tuning for desired closed-loop responses for SI/SO systems
Yongho Lee, Sunwon Park, Moonyong Lee, Coleman Brosilow
Control of Batch Processes
Nonlinear control of a batch polymerization reactor: An experimental study

Masoud Soroush, Costas Kravaris
Model identification and control strategies for batch cooling crystallizers

Stephen M. Miller, James B. Rawlings
Estimation of the molecular weight distribution in batch polymerization

Mark F. Ellis, Tad W. Taylor, Victor Gonzalez, Klavs F. Jensen
Predictive control of quality in batch polymerization using hybrid ANN models

Andy Yen-Di Tsen, Shi Shang Jang, David Shan Hill Wong, Babu Joseph
Use of biased-relay feedback for system identification

Shih-Haur Shen, Jiun-Sheng Wu, Cheng-Ching Yu
Model predictive control technique combined with iterative learning for batch processes
Kwang S. Lee, In-Shik Chin, Hyuk J. Lee, Jay H. Lee
Controllers for Specific Processing Systems
Optimal control policies for tubular reactors experiencing catalyst decay. Part 1. Single bed
reactors
A. F. Ogunye, W. H. Ray
Advanced multivariable control of a pilot-plant distillation column
B. A. Ogunnaike, J. P. Lemaire, M. Morari, W. H. Ray
Feedforward and feedback control of a solution copolymerization reactor

John P. Congalidis, John R. Richards, W. Harmon Ray
Selecting the best distillation control configuration

Sigurd Skogestad, Petter Lundström, Elling W. Jacobsen
Optimal grade transitions in a gas phase polyethylene reactor

K. B. McAuley, J. F. MacGregor
Identification and cross-directional control of coating processes

Richard D. Braatz, Matthew L. Tyler, Manfred Morari, Ferdinand R. Pranckh, Luigi Sartor
Nonlinear product property control in industrial gas-phase polyethylene reactors

K. B. McAuley, J. F. Macgregor
Control of emulsion polymerization reactors

John Dimitratos, Guillermo Eliçabe, Christos Georgakis
On-line control of a semibatch emulsion polymerization reactor based on calorimetry

Isabel Sáenz de Buruaga, Antonio Echevarría, Philip D. Armitage, José C. de la Cal, José R.
Leiza, José M. Asua
Robust H∞ glucose control in diabetes using a physiological model

Robert S. Parker, Francis J. Doyle III, Jennifer H. Ward, Nicholas A. Peppas
Process Process Operations: Optimization, Monitoring,

and Fault Diagnosis
Part-D. Process Operations: Optimization, Monitoring, and Fault Diagnosis
While Process Modeling, Process Design and Process Control have traditionally been the
core areas in Process Systems Engineering, the area of Process Operations emerged more
recently.
We have organized the papers in Part-D. Process Operations: Optimization, Monitoring,
and Fault Diagnosis in the following subsections:
 Optimization of Process Operations

 Process Monitoring and Diagnosis
 Data Reconciliation and Gross Error Detection
 Diagnosis of Process Faults
Read more on Part D
Optimization of Process Operations
Enterprise-wide optimization: A new frontier in process systems engineering

Ignacio Grossmann
Decomposition techniques for the solution of large-scale scheduling problems

Matthew H. Bassett, Joseph F. Pekny, Gintaras V. Reklaitis
On-line optimization of constrained multivariable chemical processes

Shi-Shang Jang, Babu Joseph, Hiro Mukai
Optimal production of secreted protein in fed-batch reactors

Seujeung Park, W. Fred Ramirez
Periodic operation of a trickle-bed reactor

Patricia M. Haure, Robert R. Hudgins, Peter L. Silveston
Optimization of multiple-fraction batch distillation by nonlinear programming

S. Farhat, M. Czernicki, L. Pibouleau, S. Domenech
Synchronization of batch trajectories using dynamic time warping

Athanassios Kassidas, John F. MacGregor, Paul A. Taylor
Process Monitoring and Diagnosis
Digital monitoring and estimation of polymerization reactors

J. H. Jo, S. G. Bankoff
Nonlinear principal component analysis using autoassociative neural networks

Mark A. Kramer
Real-time qualitative analysis of the temporal shapes of (bio) process variables
Konstantin B. Konstantinov, Toshiomi Yoshida
Monitoring batch processes using multiway principal component analysis

Volume 40 Issue 8, pages 1361–1375, August 1994
Paul Nomikos, John F. MacGregor
Process monitoring and diagnosis by multiblock PLS methods

John F. MacGregor, Christiane Jaeckle, Costas Kiparissides, M. Koutoudi
Statistical process monitoring and disturbance diagnosis in multivariable continuous

processes
Anne Raich, Ali Cinar
Batch tracking via nonlinear principal component analysis

Dong Dong, Thomas J. McAvoy
Statistical monitoring of multivariable dynamic processes with state-space models

Antoine Negiz, Ali Clinar
Multiscale PCA with application to multivariate statistical process monitoring

Bhavik R. Bakshi
Monitoring independent components for fault detection

Manabu Kano, Shouhei Tanaka, Shinji Hasebe, Iori Hashimoto, Hiromu Ohno
Data Reconciliation and Gross Error Detection
Detection of gross errors in process data

R. S. H. Mah, A. C. Tamhane
Reconciliation of process flow rates by matrix projection. Part I: Linear case

C. M. Crowe, Y. A. Garcia Campos, A. Hrymak
Gross error detection and data reconciliation in steam-metering systems

R. W. Serth, W. A. Heenan
Reconciliation of process flow rates by matrix projection. Part II: The nonlinear case
C. M. Crowe
Nonlinear parameter estimation: A case study comparison
L. T. Biegler, J. J. Damiano, G. E. Blau
Generalized likelihood ratio method for gross error identification

S. Narasimhan, R. S. H. Mah
Generalized likelihood ratios for gross error identification in dynamic processes

Shankar Narasimhan, Richard S. H. Mah
Unbiased estimation of gross errors in process measurements

D. K. Rollins, J. F. Davis
Sensor network design for maximizing reliability of linear processes

Yaqoob Ali, Shankar Narasimhan
Detection of gross errors in data reconciliation by principal component analysis

Hongwei Tong, Cameron M. Crowe
Identification of faulty sensors using principal component analysis

Ricardo Dunia, S. Joe Qin, Thomas F. Edgar, Thomas J. McAvoy
Data reconciliation and gross-error detection for dynamic systems

Joao S. Albuquerque, Lorenz T. Biegler
Design and retrofit of sensor networks in process plants

Miguel J. Bagajewicz
Isolation enhanced principal component analysis

Janos Gertler, Weihua Li, Yunbing Huang, Thomas McAvoy
Diagnosis of Process Faults
A rule-based approach to fault diagnosis using the signed directed graph

M. A. Kramer, B. L. Palowitch Jr.
Malfunction diagnosis using quantitative models with non-boolean reasoning in expert

systems
M. A. Kramer
Incipient fault diagnosis of chemical processes via artificial neural networks
Kajiro Watanabe, Ichiro Matsuura, Masahiro Abe, Makoto Kubota, D. M. Himmelblau
A neural network methodology for process fault diagnosis

Venkat Venkatasubramanian, King Chan
Diagnostic model processor: Using deep knowledge for process fault diagnosis
Thomas F. Petti, Jim Klein, Prasad S. Dhurjati
Fault diagnosis in complex chemical plants using artificial neural networks

J. C. Hoskins, K. M. Kaliyur, David M. Himmelblau
Subspace approach to multidimensional fault identification and reconstruction

Ricardo Dunia, S. Joe Qin
Fault detection and diagnosis based on modified independent component analysis

Jong-Min Lee, S. Joe Qin, In-Beum Lee
Integrated fault-detection and fault-tolerant control of process systems

Prashant Mhaskar, Adiwinata Gani, Nael H. El-Farra, Charles McFall, Panagiotis D.
Christofides, James F. Davis

Process Synthesis and Design

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Process Synthesis and Design

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Process Modeling, Simulation & Optimization

Part-A. Process Modeling, Simulation, and Optimization

 First Principles-Based Modeling and Simulation

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First Principles-Based Modeling and Simulation

Distributed pore-size model for sulfation of limestone

Multicomponent separation calculations by linearization

An analysis of the equilibrium stage separations problem—formulation and convergence

A multicomponent film model incorporating a general matrix method of solution to the

A nonequilibrium stage model of multicomponent separation processes. Part II: Comparison

Heterogeneous azeotropic distillation: Experimental and simulation results

Mathematical modeling and numerical integration of multicomponent batch distillation

Modeling crystal shapes of organic materials grown from solution

Empirical or Semi-Empirical Modeling

Model discrimination and parameter estimation in heterogeneous catalysis

Parameter estimation from multiresponse data

Reduced-order steady-state and dynamic models for separation processes. Part I.

Input-output linearization of general nonlinear processes

Use of Hammerstein models in identification of nonlinear systems

Estimation of nonlinear systems using linear multiple models

A hybrid neural network-first principles approach to process modeling

Wave-net: a multiresolution, hierarchical neural network with localized learning

Modeling chemical processes using prior knowledge and neural networks

Reducing data dimensionality through optimizing neural network inputs

Process modeling using stacked neural networks

Modeling Thermophysical Properties

A general correlation of vapor-liquid equilibria in hydrocarbon mixtures

Thermodynamic consistency using orthogonal collocation or computation of equilibrium

Evaluation of parameters for nonlinear thermodynamic models

New group contribution method for estimating properties of pure compounds

Estimation of pure compound properties using group-interaction contributions

Numerical Methods for Steady State or Dynamic Simulation

Structuring design computations

A new simulation method for equilibrium stage processes

Steady state chemical process simulation

Modeling of combined discrete/continuous processes

New discretization procedure for the breakage equation

Multiscale integration hybrid algorithms for homogeneous–heterogeneous reactors

Optimization Algorithms and Applications

A new approach to optimization of chemical processes

A mixed-integer nonlinear programming algorithm for process systems synthesis

Process optimization via simulated annealing: Application to network design

Global optimization of mixed-integer nonlinear problems

On the optimization of differential-algebraic process systems

Large-scale DAE optimization using a simultaneous NLP formulation

Global optimization for the phase stability problem

Model reduction for chemical kinetics: An optimization approach

Efficient sampling technique for optimization under uncertainty

Analysis of Process Behavior

Computational studies of transients in packed tubular chemical reactors

Qualitative simulation of chemical process systems: Steady-state analysis

Stochastic analysis of a three-phase fluidized bed: Fractal approach

Multiple steady states in ideal two-product distillation

The curious behavior of homogeneous azeotropic distillation—implications for entrainer

Process Synthesis and Design

A review of process synthesis

Synthesis of Chemical Processes

The synthesis of system designs: I. Elementary decomposition theory

The synthesis of system designs. II. Heuristic structuring