European Committee for Computers

in Chemical Engineering Education

 

 

 

EURECHA/CACHE

 

 

Two Day Workshop

 

on

 

Application of Mathematical Software Packages in Chemical Engineering Education and Practice

 

 

 

May 29 - 31, 2002

Delft University of Technology
The Netherlands

 

 

 

Preliminary Program

Scope and Goals

Process computations often require the use numerical software packages for problem solving. Such a need frequently arises in ChE education and practice, where the main objectives are deriving the mathematical model of the physical phenomena and critically analyzing the results while technical details of the solution can be handled by a numerical software package. For professionals and ChE students who are involved with the development of mathematical models, there are considerable benefits in using numerical software packages for model development and implementation as compared to the use of source code programming. Process engineers often have do carry out computations that involve non-conventional processes and chemicals. Such processes cannot be modeled with the standard flowsheeting programs, and the use of numerical software packages in such cases is usually most effective.

The objective of this course is to provide basic knowledge of the capabilities of several software packages so that the participants will be able to select the package that is most suitable for a particular need. Important considerations will be that the package will provide accurate solutions and will enable precise, compact and clear documentation of the models along with the results with minimal effort on the part of the user.

The types of problems that will be discussed include the following: solution of linear and nonlinear algebraic equations, modeling and regression of data, solution of ordinary differential equations (initial and split boundary value problems), solution of differential-algebraic systems, and the method of lines for solution of PDEs.

            Solutions obtained with different software packages of realistic process computational examples will be presented and similar assignments will be solved during the hands on sessions. Electronic copies of the solutions of ten examples obtained with the software packages: Excelä, Mapleä, MATLABä, Mathcadä, Mathematicaä and POLYMATHä will be distributed to the participants. These examples include: solution of cubic equations of state, material balance on a multi- component multistage process, representation of vapor pressure data by various equations, reaction equilibrium for multiple reactions, terminal velocity of falling particles, unsteady state heat exchange in series of tanks, diffusion with chemical reaction in a one dimensional slab, binary batch distillation of a nonideal mixture, reversible, exothermic reaction in a catalytic reactor, and the dynamics of a heated tank with PI control. This collection of problems will enable the participants to solve similar problems, using the various software packages, by replacing only the model equations and the data.   

 

Who should attend?

Chemical engineering faculty, process engineers, design engineers, scientists and PhD-students working in mathematical modeling and process design and analysis will find the course of considerable value.

 

Location

The lectures and tutorials will be held at Delft University of Technology.

 

Accommodation

A block of rooms will be reserved in a hotel at The Hague, about 10 km away from the Delft University of Technology campus with convenient train service. The accommodation fee is not included in the course fee.

 

Course Fee                                        

Standard fee            ......................................................            Euro 500

Subsidized fee for members of EURECHA            ......            Euro 300

 

The course fee includes participation in all lectures & tutorials (including use of Excel, MATLAB and POLYMATH), lecture notes, tutorial notes, course dinner, lunch for the two days of the course and coffee/tea during breaks.

 

 

 


Workshop Timetable

 

Day 1: Informal dinner at Delft University of Technology - from 18.00 hrs

Day 2: Solution of algebraic equations, data modeling and regression

 

8:30 – 9:00

Introduction

All

9:00-11:00

Lecture 1 : Solution of algebraic equations, data modeling and regression

·            Review of numerical methods for solving linear and nonlinear algebraic equations

·            Review of numerical methods for linear, polynomial and nonlinear regression

·            Methods for assessing “goodness of fit” of regression models

MS

11.00-12.30

Tutorial 1: Use of POLYMATH for solving linear material balances, cubic equations of state, non-ideal flash, reaction equilibrium and pipeline flow calculations. Fitting equations to vapor pressure and heat capacity data (problem set 1).

MBC

12:30-13:30

Lunch

 

13:30-14.30

Tutorial 2: Use of Excel for solving problem set 1

MS

14:30-15:30

Tutorial 3: Use of MATLAB for solving problem set 1

PJTV

16:00-17:00

Lecture 2:  Presentation of Maple, Mathcad and Mathematica solutions for problem set 1

MBC

17:00-18:00

Case study 1: Selecting an optimal model for representing vapor pressure data, solution and documentation with POLYMATH and Excel

MS

 

Day 3: Solution of Differential Equations

 

8:30-10:30

Lecture 3: Solution of Differential Equations

·            Review of numerical methods for solving ordinary differential equations (initial value and split boundary value)

·            Review of numerical methods for solving differential-algebraic systems

·            Review of the method of lines for solving partial differential equations

PJTV,MBC

10:30-12:00

Tutorial 4: Use of POLYMATH for solving problems related to: unsteady state heat exchange, reversible exothermic catalytic reaction, non-ideal batch distillation, diffusion with chemical reaction and dynamics of controlled processes (problem set 2).

MBC

12:00-13:00

Tutorial 5: Use of Excel for solving problem set 2.

MS

13:00-14:00

Lunch

 

14:00-15:00

Tutorial 6: Use of MATLAB for solving problem set 2

PJTV

15:00-16:00

Lecture 4:  Presentation of Maple, Mathcad and Mathematica solutions for problem set 2

MBC

16:30-17:30

Case study 2. Prediction and prevention of temperature runaway in a semi-batch reactor. Solution and documentation by POLYMATH and Excel

MS

17:30-18:00

Review and Course Assessment

All

 

MBC  = Michael B. Cutlip, MS  = Mordechai Shacham, PJTV = Peter J. T. Verheijen

Note: All tutorials will involve hands-on computer sessions where participants will formulate and solve the problems using Excel, MATLAB and POLYMATH

 

 

 

Registration (please use block letters)

 

Surname ........................................   Initials ............................

 

Dr/Mr/Mrs/Miss .......................................................................

 

Company/Organization ............................................................

 

Address for correspondence ....................................................

 

..................................................................................................

 

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Country ............................................. Post-code .....................

 

Tel ............................................... Fax ....................................

 

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Form of  payment  (please delete to indicate your choice)

 

Cheque/Direct transfer 

Cheque for EURO 500/300 or equivalent is enclosed / will be sent

Payment for EURO 500/300 or equivalent has been made/

                                             will be made by direct transfer

 

Cheques should be made payable in EURO to EURECHA.

Direct transfer information is given below (please send copy of the transfer):

Verein EURECHA

Account  0862-656415-81

Credit Suisse-Rigiplatz

Ch 8033 Zurich

Switzerland

 

Please send the registration form to

Rafiqul Gani, Department of Chemical Engineering, Building 229,

Technical University of Denmark, DK-2800 Lyngby, Denmark.

Fax : (45) 45932906

 

Note: participation in the workshop will be guaranteed (on a first come first serve basis) only after completion of registration.


EURECHA

 

The European Committee for Computers in Chemical Engineering Education has been established to provide collaboration between teaching institutions with Software, Case Studies, Courses and general information exchange.

 

EURECHA provides a range of software suitable for teaching courses related to process synthesis, process design, process simulation, process control, process optimization and thermodynamic properties prediction. Also, EURECHA members can obtain commercial process simulators under attractive terms for teaching purposes. Finally, EURECHA provides members with tutorial case studies that can be used for teaching purposes. These tutorial case studies are based on the use of software (including commercial process simulators).

 

EURECHA membership is open to all educational institutions. Please contact Prof. Zdravko Kravanja for further details, or, visit the EURECHA home page at,

http;//www.capec.kt.dtu.dk/eurecha.

 

EURECHA Secretariat: Professor Zdravko Kravanja, Faculty of Chemistry and Chemical Engineering, Univeristy of Maribor, Smetanova 17, SL 2000 Maribor, Slovenia. Zdravko Kravanja <kravanja@uni-mb.si>

 

Workshop enquiries:

 

Registration related: Rafiqul Gani, Department of Chemical Engineering, Technical University of Denmark, DK-2800 Lyngby, Denmark (E-mail rag@kt.dtu.dk)

 

Contents related: Mordechai Shacham, Department of Chemical Engineering, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel (E-mail shacham@bgumail.bgu.ac.il)

 

 


Lecturers

 

Michael B. Cutlip

 

Michael B. Cutlip is Professor of Chemical Engineering at the University of Connecticut where he has been on the faculty since 1968. He was Director of University Honors Programs from 1998-2001 and was the Chair of the Chemical Engineering Department from 1980-89.  He was Chair of the Chemical Engineering Division of the American Society for Engineering Education in 1999-00 and was the Program Chair of the Division in 1997-98.   He has been a CACHE Trustee since 1984 and served as President from 1992-94. He received a Distinguished Engineering Alumni Award from the University of Colorado in 1995. His research areas include Chemical Reaction Engineering and Electrochemical Reaction Engineering in Fuel Cells.

 

Michael Cutlip and Mordechai Shacham are co-authors of POLYMATH, which is a widely used numerical analysis software package that has been distributed by the CACHE Corporation since 1990.  They have also co-authored the reference and textbook Problem Solving in Chemical Engineering with Numerical Methods (Prentice Hall, 1999).

 

Mordechai Shacham

 

Mordechai Shacham is a professor of chemical engineering and head of the university-wide E-learning project at the Ben-Gurion University of the Negev, Beer-Sheva, Israel. His research interest includes analysis, modeling and regression of data, applied numerical methods, computer-aided instruction and process simulation, design and optimization. He is author of more than 60 journal publications and he is the recipient of the 2000 CACHE Award for excellence in computing in chemical engineering education.  He teaches several courses that involve the use of Excel, Maple, MATLAB and POLYMATH and uses MATLAB and POLYMATH extensively for research.

 

Peter J.T. Verheijen

 

Peter Verheijen is a professor at the Technical University Delft (TUD), The Netherlands, with the special task and interest of modeling and statistics applied to chemical engineering. He has been instrumental in stimulating the quantitative and numerical attitude within the degree the program at TUD during the last decade. His recent research focuses, on areas such as crystallization modeling, metabolic networks, particle systems, and complex process systems. He uses in education now primarily MATLAB, and uses in research a combination of gPROMS and MATLAB. See further http://www.dct.tudelft.nl/~verheijen.