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ENCH250

Computer Methods in Chemical Engineering

Summer 2008

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Table of Contents


Class Syllabus

Class Syllabus contains information on textbooks, gradings, etc. A separate document describes the general criteria for grading problems. Be sure you understand the Policy on Academic Integrity within the Chemical & Biomolecular Engineering Department.


Homework Statements & Solutions

DueHomeworkSolutions
7/17Homework #1 See Homework Statement
7/22Homework #2  
7/24Homework #3  
7/29Homework #4  
7/31Homework #5  
8/05Homework #6  
8/07Homework #7  
8/12Homework #8  
8/14Homework #9  
8/19Homework #10  
8/21Homework #11  
    
  
 


Class Handouts & Lecture Notes

Week #1
  • Syllabus, survey, pictures
  • Computer Hardware (various major components),
  • Internet, Remote Computer Login (telnet), File Transfer (ftp), Hypertext File Transfer (http), HTML
  • ASCII, ASCII Table
  • Number System, Base Conversion, Bits & Bytes
  • Error, Accuracy, Iteration
  • Integration, Trapezoidal Rule
  • Ax=b, Matrix, Handling Vectors/Matrices in Spreadsheet
  • Gaussian Elimination & Matrix Inverse: Ax=b & A-1.
  • Excel, Spreadsheet Fundamentals
  • On-line Excel Tutorial (Save first to your PC first; then open.)
  • Excel Examples.
Week #2
Week #3
Week #4
  • Linear Regression, Data Fitting
  • Slope & Intercept
  • Derivation of Intercept and Slope Equations
  • Linear Regression Algorithms
    • Multivariate Regression Series (Part 1, Linear Least Squares Regression)
    • Multivariate Regression Series (Part 2, Multiple Least Squares Regression)
  • Excel Examples of Linear Regression
  • Mathcad Examples of Linear Regression
  • Nonlinear Regression, Algorithms
  • Excel Examples of Nonlinear Regression
    • Nonlinear Regression (Exponential Decay) by Minimizing sse
  • Mathcad Examples of Nonlinear Regression
    • Nonlinear Regression (Exponential Decay)
      • Snapshot of Mathcad Screen (regress9.gif)
      • Mathcad File (regress9.mcd) -- Convergent behavior depends on versions; see comments at end of worksheet.
    • Ditto, with "Minerr" Function
  • Exam #2 & Solution
Week #5
  • Matlab
  • Matlab Tutorials
  • Matlab Primer by Kermit Sigmon (ported by Nam Sun Wang)
  • Matlab Quick Search (A List of Commands Sorted by Category)
  • Matlab Programming Elements (I/O, Flow Control, Loop, Functions)
    • Basic syntax and rules (matrix, array, scalar)
    • Turn on recording with diary
    • Input/Output with input, disp, fprintf, fopen, fclose
    • Input/Output with save, load
    • Assignment with algebraic expressions involving ( + - * / ^ ), e.g., sum=sum+1
    • Plotting with plot, axis, title, xlabel, ylabel, text
    • Looping with for ... end
    • Conditional check with if ... else ... end and logical expression involving ( == ~= > >= < <= & | ~ )
    • function statement; global
  • Matlab Examples
    • Matlab: Temperature Conversion
      • MATALB M-Script File (temp.m)
    • Matlab: Solve Ax=b with Matlab
    • Matlab: Polynomial Roots
    • Matlab: IF-THEN-ELSE
    • Matlab: function (addition and subtraction)
    • Matlab: Factorial function.
    • Fortran (passing by reference) & Matlab (passing by value)
    • Matlab: Passing by Value between functions
    • Matlab: Do not place function argument in "global"
      • Main M-Script File (double.m) -- Bad example.
      • Main M-Script File (doubleok.m) -- Good example.
    • Matlab: Quadratic Equation Solver in Matlab
    • Matlab: Integration with QUAD & QUAD8
  • MATLAB Examples of Nonlinear Algebraic Equation
  • MATLAB Examples of Linear Regression:
    • Quick-Dirty Example of Linear Regression in Power Series -- Fit f(x)=1/(x+1) with "polyfit"
  • MATLAB Examples of Nonlinear Regression:
    -------------------------------------------------------------------------
  • ODE -- Initial Value Problem, Algorithms
  • Numerical Solution of ODE with Euler & Runge-Kutta
  • Transform into First-Order ODEs
  • Excel Examples of ODE
  • Mathcad Examples of ODE
    • Ordinary Differential Equation -- Non-isothermal Reactor
  • MATLAB Example of ODE
      Ordinary Differential Equation -- Non-isothermal Reactor
Week #6
  • ODE -- Boundary Value Problem, Algorithms
  • Excel Example of Boundary Value Problems
    • ODE Boundary Value Problem (Concentration Profile in a Spherical Catalyst Particle.)
  • Mathcad Examples of Boundary Value Problems
    • Ordinary Differential Equations -- Boundary Value Problem (Bessel's Function by Trial & Error Shooting Method)
  • Chemcad
  • Chemcad Overview
  • Chemcad Tutorial
  • Semester Review & Teaching Evaluation
  • Final Examination & Solution


List of Students
Click here to match names with faces for the entire class.


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Computer Methods in Chemical Engineering
Forward comments to:
Nam Sun Wang
Department of Chemical & Biomolecular Engineering
University of Maryland
College Park, MD 20742-2111
301-405-1910 (voice)
301-314-9126 (FAX)
e-mail: nsw@umd.edu ©2008 by Nam Sun Wang
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