Introduction to Modeling and Computation for Chemical Engineers

with POLYMATH, Excel and MATLAB

Course Instructor:

Main Features of the Course

Course Contents

Instructions for Homework Assignments and Self Tests

Comments, Corrections and Suggestions

Course Instructor:

Prof. Mordechai Shacham

Chemical Engineering Dept. 

Ben-Gurion University of the Negev

P. O. Box 653, Beer-Sheva 84105, Israel

e-mail: shacham@bgumail.bgu.ac.il

Course Objectives

An objective of the course is to enable the students to formulate engineering problems as mathematical models belonging to one of the following categories: complex consecutive calculations, linear and nonlinear algebraic equations, ordinary differential equations and multiple linear and polynomial regressions. The second objective is to enable them to solve the resultant models using POLYMATH¹, Excel² and MATLAB³.

¹POLYMATH is copyrighted by M. Shacham, M. B. Cutlip and M. Elly (http://www.polymath-software.com/)

²Excel is a trademark of Microsoft Corporation (http://www.microsoft.com)

³MATLAB is a trademark of The Math Works, Inc. (http://www.mathworks.com )

Main Features of the Course

Based on real life problems – the study of each subject starts by presenting a real life problem, which requires preparation of a mathematical model followed by its solution using the appropriate numerical technique.

Multi-stage problems - the problems require computer solution in several stages. Preliminary stages are solvable by software that does not require programming  (POLYMATH, Excel) while advanced stages require MATLAB programming. The progress from stage to stage is done by modification and extension of the existing material.

Programming by modification - solved examples are provided. The homework assignments and exams can be solved by modifying and extending the solved examples.

Self – grading – students check and grade their own homework assignments and exams. The self-test program provides feedback on the errors made

Chapter 1: Complex Consecutive Calculations (pdf file, 233 KB)

Homework assignment 1: Calculation of Molar Volume and Compressibility Factor of a Gas Using the Redlich - Kwong Equation of State.

Chapter 2: Iterative Solution of a Nonlinear Equation (pdf file, 256 KB)

Homework assignment 2: Calculation of Adiabatic Flame Temperature

Homework assignment 3: Calculation of Molar Volume and Compressibility Factor Using Various Equations of State.

Homework assignment 4: Bubble Point and Dew Point for an Ideal Multi-component Mixture

Chapter 3: Matrix Operations and Solution of Systems of Linear Equations (pdf file, 193 KB)

Chapter 4. Multiple-Linear, Polynomial and Nonlinear Regression. Part I (pdf file, 215 KB), Part II (pdf file, 310 KB)

Homework assignment 5: Fitting Correlations (Regression Models) to Vapor Pressure Data

Homework assignment 6: Linearization of the Antoine Equation

Chapter 5. Introduction to Solution of Systems of Nonlinear Algebraic Equations

Chapter 6. Introduction to solution of Systems of Ordinary Differential Equations (pdf file, 263 KB)

Instructions for Homework Assignments and Self Tests

Open the "Problem Definition" and make a hard copy of it. Note that some of the data in the assignment is generated randomly and a new set of data can be obtained by clicking on "Refresh". Solve the problem using POLYMATH, Excel or MATLAB. Note that most students find POLYMATH the easiest to use, with the level of difficulty increasing when moving to Excel and even more to MATLAB.

After obtaining solutions for all the questions in the assignment open the "Self Test", enter the information regarding the data set you used for solving the assignment and open the questions one after another. You will be asked for numerical values of some of the key results. Enter those values with at least three significant digits (not counting leading zeroes). Note that only numbers are accepted not arithmetic operations (enter 1.2345e-7 and not 1.2345*10^-7 for very small or large numbers). Answer all the items within a question and press "Enter" to get it checked. Your answers will be marked "Correct" or "Incorrect" and the correct answer will be displayed as a feedback. If there are several incorrect answers some follow up questions will also be presented. Try to find the mistakes you made using the feedback provided by the self test, solve for a different set of data and enter the self test again to ensure that your understand the material perfectly.

Comments, Corrections and Suggestions

Comments, corrections and suggestions regarding this course are welcome and should be sent to: shacham@bgumail.bgu.ac.il