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    Polymath Tutorial

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    This document provides an overview of using Polymath software to solve various types of equations. It demonstrates how to use Polymath to solve: 1) A system of nonlinear equations using an example reaction problem. 2) A system of ordinary differential equations (ODEs) using an example series reaction problem. 3) Discusses how changing rate constants can maximize an intermediate species in the reaction.

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    Polymath Tutorial

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    This document provides an overview of using Polymath software to solve various types of equations. It demonstrates how to use Polymath to solve: 1) A system of nonlinear equations using an example reaction problem. 2) A system of ordinary differential equations (ODEs) using an example series reaction problem. 3) Discusses how changing rate constants can maximize an intermediate species in the reaction.

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    This document provides an overview of using Polymath software to solve various types of equations. It demonstrates how to use Polymath to solve: 1) A system of nonlinear equations using an example reaction problem. 2) A system of ordinary differential equations (ODEs) using an example series reaction problem. 3) Discusses how changing rate constants can maximize an intermediate species in the reaction.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    5K views35 pages

    Polymath Tutorial

    Uploaded by

    j0haNN3s
    This document provides an overview of using Polymath software to solve various types of equations. It demonstrates how to use Polymath to solve: 1) A system of nonlinear equations using an example reaction problem. 2) A system of ordinary differential equations (ODEs) using an example series reaction problem. 3) Discusses how changing rate constants can maximize an intermediate species in the reaction.

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    Polymath Tutorial

    CBE 40445 Monday, 29th August 2011

    Polymath Capabilities
    Linear Equations Solver Nonlinear Equations Solver Differential Equations Solver Regression
    Linear & Polynomial Data Table Multiple Linear or Multiple Nonlinear Regression

    Additional Capabilities
    Export to Excel Calculator and unit conversion tools Polymath Export to Matlab (see help Menu for more information)

    Todays Class
    Provide information on Polymath
    How to open and use the software

    Learn how to input and solve nonlinear and differential equations


    Provide step-by-step instructions so you can practice and compare results

    Address the question: Why learn another software program?

    Starting Polymath 1. Open Polymath Fogler from the start menu.

    Navigating the Menu


    1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19

    1. New program 13. Solve system of ODEs 2. Open file 14. Regress and analyze data 3. Open recent file 15. Calculator 4. Save file 16. Unit converter 5. Cut 17. Scientific constants 6. Copy 18. Setup preferences 7. Paste 19. Help 8. Delete 9. Find 10. Find and replace 11. Solve system of linear equations 12. Solve system of nonlinear equations

    For more information: Help Menu

    Help Menu

    Example 1: Nonlinear Equation Solver


    Consider the following set of equations: kCA12 = v(CA0-CA1)/V kCA22 = v(CA1-CA2)/V where k = 0.075, v = 30, CA0 = 1.6, and CA2 = 0.2 CA0. Therefore, we have two remaining variables: variables CA1 and V. We will use initial estimates: CA1=1 and V=300.

    How do we do this in Polymath?

    Nonlinear Equation Solver


    Rearrange:
    0 = kCA12 v(CA0 - CA1)/V 0 = kCA22 v(CA1-CA2)/V In Polymath, the appropriate forms for these equations are:

    f(CA1) = kCA12 v(CA0 - CA1)/V = 0 f(V) = kCA22 v(CA1-CA2)/V = 0


    Can f(CA1) and f(V) be switched?

    1. Open a new sheet by clicking on the blank sheet in the upper corner. 2. Open Nonlinear Equations

    3. In the upper left corner, click the f(x)+ button. This will allow you to enter one of the two equations. 4. A new window will open. 5. Type in the first equation as shown before.

    3. In the upper left corner, click the f(x)+ button. This will allow you to enter one of the two equations. 4. A new window will open. 5. Type in the first equation as shown before. 6. Press Done.

    7. You should see the new equation in the worksheet, as well as the comments. 8. Enter the second equation by repeating the same steps.

    9. You will see the two equations and two initial value guesses in the worksheet. 10. The red X displays the undefined variables. 11. Enter the undefined variables by either 1) clicking on the x(=)+ button in the menu or 2) entering directly into the worksheet.

    9. You will see the two equations and two initial value guesses in the worksheet. 10. The red X displays the undefined variables. 11. Enter the undefined variables by either 1) clicking on the x(=)+ button in the menu or 2) entering directly into the worksheet. 12. Now you should see a blue check mark indicating this system of equations can be solved. 13. To solve, click the purple arrow.

    Results: CA1 initial guess: 1 V initial guess: 300

    CA1 = 0.602 V= 1102

    Example 2: Solving a System of Ordinary Differential Equations (ODEs)


    This system may contain two types of equations: 1) first order ordinary differential equations and 2) explicit algebraic equations. The differential equations must be entered in the following form: d(x)/d(t)= . Here t is the independent variable and x is a dependent variable. Auxiliary algebraic equations must be entered in the form: x = .

    For differential equations, an initial value is needed for all variables. A final value is needed for the independent variable.

    1. Open a new program (blank sheet) 2. Select Differential Equations

    3. Select the d(x)+ button to add a new differential equation.

    What should we solve?


    Series Reaction: ABC
    k1 k2

    Using Polymath, we can monitor the conversion of A, the formation (and disappearance) of B, and the formation of C. Species Balances:
    d ( A) k1* A d (t )
    d ( B) k1* A k 2 * B d (t )

    d (C ) k2* B d (t )

    Lets solve this series of differential equations.

    4. Select the d(x)+ button to add a new differential equation.

    5. Add the three equations with the following initial parameters: A(0)=1, B(0)=0, C(0)=0 6. We still have two undefined variables: k2 and k1 7. Enter k1 as 1 and k2 as 2.

    5. Add the three equations with the following initial parameters: A(0)=1, B(0)=0, C(0)=0 6. We still have two undefined variables: k2 and k1 7. Enter k1 as 1 and k2 as 2.

    We have an error. We need to enter the initial and final values for our independent variable (t).

    8. To add the final values for t, select Edit followed by Define Initial and Final values 9. Then enter the initial and final values for t: 0 and 3.

    8. To add the final values for t, select Edit followed by Define Initial and Final values 9. Then enter the initial and final values for t: 0 and 3. 10. Select Problem and Arrange Equations to sort the list.

    8. To add the final values for t, select Edit followed by Define Initial and Final values 9. Then enter the initial and final values for t: 0 and 3. 10. Select Problem and Arrange Equations to sort the list.

    Before we solve, lets add a title. 11. Select Edit and Enter Problem Title

    12. Click the Graph box to add graphing options.

    Graph

    13. To run the program, click the purple arrow.

    Run Program

    Final values: A = 0.050 B = 0.047 C = 0.903

    Concentration Profiles Graph generated to show disappearance of reactant A.

    Concentration Profiles Graph generated to show disappearance of reactant A.

    Click Graph to modify

    Concentration Profiles

    Click brush to edit

    How can B maximized?


    ABC If k1>>k2, what happens? Change k2 to 0.5 and k1 to 2
    k1 k2

    With k1 = 1 and k2 =2, Bmax = 0.25

    With k1 = 2 and k2 =0.5, Bmax = 0.63

    To order Polymath
    http://www.polymath-software.com/ 5 day free trial
    Use the trial to see if you would like to purchase the software

    $20/4 months

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