| Week | Date | Topics
|
|---|
|
|
|
|
| 1
| 7/17 |
Syllabus, Survey, Pictures,
Computer Hardware (various major components),
ASCII,
Bits & Bytes,
Number System, Base Conversion
|
| 7/18 |
Operating Systems (DOS, Windows, Unix, Mac)
Redirection,
File Transfer (ftp), Remote Computer Login (telnet),
Internet (www, http, IE), E-Mail,
Internet Relay Chat (irc)
|
| 7/19 |
HTML
|
| 7/20 |
Integration, Trapezoidal Rule,
Error, Accuracy, Iteration,
Spreadsheet Fundamentals
|
| 7/21 |
Quiz #1,
Matrix, Ax=b, Handling vectors/matrices in Spreadsheet
|
| 2
| 7/24 |
Gaussian Elimination, Matrix Inverse
|
| 7/25 |
VBA Syntax (Variable Types, Assginment, Algebraic/Logic Operators, I/O, SUB/FUNCTION),
|
| 7/26 |
VBA Syntax: Flow Control/Branching with IF, FOR-Loop
|
| 7/27 |
f(x)=0: Algorithm & One-Dimensional Examples
|
| 7/28 |
Quiz #2,
f(x)=0: One-Dimensional Examples
|
| 3
| 7/31 |
f(x)=0: Multidimensional Examples with Excel
|
| 8/01 |
f(x)=0: Multidimensional Examples with NR
|
| 8/02 |
Mathcad: Basic Syntax & Overall Structure
|
| 8/03 |
Mathcad: Application
|
| 8/04 |
Quiz #3,
Mathcad: Application
|
| 4
| 8/07 |
Mathcad: Symbolic Computation,
Data Fitting, Regression
|
| 8/08 |
Linear Regression: Algorithms & Examples
|
| 8/09 |
Nonlinear Regression: Algorithms & Excel Examples
|
| 8/10 |
Nonlinear Regression: Algorithms & Mathcad Examples
|
| 8/11 |
Quiz #4,
|
| 5
| 8/14 |
Matlab: Matrix, Syntax
|
| 8/15 |
Matlab: I/O, Flow Control, Loop
|
| 8/16 |
Matlab: Functions
|
| 8/17 |
ODE: Algorithms & Exel/Mathcad Examples
|
| 8/18 |
Quiz #5,
ODE: Matlab Examples
|
| 6
| 8/21 |
ODE: Boundary Value Problems Algorithms & Examples
|
| 8/22 |
Chemcad
|
| 8/23 |
Chemcad
|
| 8/24 |
Semester Review; Teaching Evaluation
|
| 8/25 |
Final Examination
|
| | |
|
| |
|
|
|
|
|
|
|
| Week #1
|
|
|
|
|
|
|
|
|
| Week #2
|
|
|
|
|
|
|
|
|
| Week #3
|
|
|
- Nonlinear Algebraic Equations (Multidimensional f(x)=0)
- Nonlinear Algebraic Equations via Module (Calling Numerical Recipes' MNEWT)
- Nonlinear Algebraic Equation (Flash Distillation)
- Mathcad Program
- Mathcad (Also include information on Scientific Notebook, TKSolver, & DADiSP.)
Information on Mathcad is available from
MathSoft.
- Download a demo version of Mathcad version 6.0
(Size: 1,390,544 bytes), which cannot read/save/print files.
(My recommendation: buy the real thing.)
- Download a free Mathbrowser (Size: 1,019,174 bytes)
that can run the Mathcad files posted here but cannot
print them or save your changes.
(My recommendation: buy the real thing.)
- Download a demo version of Mathcad version 7.0 from UMCP
(Size: 5,699,040 bytes).
- Download a trial version of Mathcad version 7.0 from UMCP
(Size: 12,546,984 bytes), which ceases to operate after 30 days.
- Mathcad Manuals:
- Mathcad Examples:
- Basic examples of functions and algebraic equations
- Temperature Conversion, from Celsus to Fahrenheit
(Problem Statement)
- Ditto, from Fahrenheit to Celsius
(Problem Statement)
- Integrate the Gaussian Function.
- Some Matrix Manipulations
- Linear Algebraic Equations Ax=b -- Pasteboard Problem
- Iteration: Taylor's series expansion to find exp(x)
(Mathcad's "until" is not intuitive; its use is discouraged in v2k.)
- Implementation of Bisection Method (sin(x)=a*x Example)
- Implementation of Newton's Method (sin(x)=a*x Example)
- Nonlinear Algebraic Equations (Multidimensional f(x)=0)
(Problem Statement)
- Binary Distillation (McCabe-Thiele Diagram)
- Ditto with a Different Subscript
- Counter-Current Equilibrium Extraction
- (Optional) Programming in Mathcad (Morgage Payment Problem)
(Problem Statement)
- Method #1: Trial & Error
- Method #2: Scalar Function and Root (Need Version 6, Not supported in Version 5)
- Method #3: Recursive Function (Need Version 6, Not supported in Version 5)
- Method #4: Vector Function and Root (Need Version 6, Not supported in Version 5)
- Some Mathcad bugs and Warnings
- Symbolic Manipulations
- Quiz #3 & Solution
|
|
|
|
|
| Week #4
|
|
|
- Linear Regression
- Slope & Intercept
- Derivation of Intercept and Slope Equations
- I have prepared a series of notes on linear regression.
The first two sections are suitable for ENCH250.
- Multivariate Regression Series (Part 1, Linear Least Squares Regression)
- Multivariate Regression Series (Part 2, Multiple Least Squares Regression)
- Read further only if you are truly motivated to learn more about regression.
- Multivariate Regression Series (Part 3, Principal Component Regression)
- Multivariate Regression Series (Part 4, Partial Least Squares Regression)
- Multivariate Regression Series (Part 5, Simple 2-Dimensional PLS Example)
- Multivariate Regression Series (Part 6, Perceptrons)
- Excel Examples of Linear Regression
- Linear Regression
(Problem Statement)
- Ditto /w the Normal Equation (Automatic Updating & Use of Symbols -- suitable as a regression template)
- Mathcad Examples of Linear Regression
- Linear Regression ("intercept" & "slope" Functions) /w Few Data Points
- Linear Regression ("intercept" & "slope" Functions) /w Data from a File
- Linear Regression of Data Read from regress.prn with the Normal Equation
- Linear Regression of Data Entered Directly in Worksheet with Normal Equation
- Linear Regression with "linfit" Function
- Linear Regression (Incremental) of Steam Table Data steam.prn with the Normal Equation
- Linear Regression of Steam Table Data
- Nonlinear Regression
- Demo: Forced linear regression of a nonlinear function may be bad.
(Problem Statement)
- Excel Examples of Nonlinear Regression
- Nonlinear Regression (Exponential Decay) by Minimizing sse
- Nonlinear Regression (Antoine Equation) 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
- Ditto, with "genfit" Function
- Ditto, with "Minimize" Function, starting from v8
- Nonlinear Regression of Steam Table Data (Two Nonlinear Terms)
- Ditto (Four Nonlinear Terms)
- Quiz #4 & 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)
- Major Matlab programming elements:
- 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
- Matlab: Solve Ax=b with Matlab
- Matlab: Polynomial Roots
- Matlab: Read a series of data sequentially from an ASCII file read1.m
- Matlab: Load data from a file to a single matrix read2.m
- Matlab: Write a series of data sequentiallly to an ASCII file write.m
- 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
- Demo: Solve f(x)=0 with MATLAB; f(x)=sin(x)-a*x=0 with FZERO
- Solve f(x)=0 with Newton's Method in MATLAB;
- Demo: Multi-Dimensional f(x)=0 with "fsolve"
(Problem Statement)
- MATLAB Examples of Linear Regression:
- Quick-Dirty Example of Linear Regression in Power Series -- Fit f(x)=1/(x+1) with "polyfit"
- Quick-Dirty Example of Linear Regression in Power Series -- Fit f(x)=1/(x+1) with "\"
- Quick-Dirty Example of Linear Regression -- Fit f(x)=1/(x+1) with a=(X'X)-1X'y
- Linear Regression in Power Series (Read Data from Keyboard/File)
- MATLAB Examples of Nonlinear Regression:
- Nonlinear Regression with Exponential Decay Function Using "fsolve"
- Ditto, with "fmins"
-------------------------------------------------------------------------
- ODE -- Initial Value Problem
- Numerical Solution of ODE with Euler & Runge-Kutta
- Transform into First-Order ODEs
- Excel Examples of ODE
- 1-dimensional ODE
- 2-dimensional ODE (Predator-Prey)
- 2-dimensional ODE (Predator-Prey via a Module and RK4 of Numerical Recipes)
- Mathcad Examples of ODE
- Ordinary Differential Equation -- Non-isothermal Reactor
- Ordinary Differential Equation -- One Dimensional Case
- Ordinary Differential Equations -- Initial Value Problem (Predator-Prey Dynamics)
- Ditto -- Simplified
- MATLAB Example of ODE
Ordinary Differential Equation -- Non-isothermal Reactor
- Quiz #5 & Solution
|
|
|
|
|
| Week #6
|
|
|
- ODE -- Boundary Value Problem
- 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)
- Ditto (by "sbval" with dummy elements)
- Ditto (by "sbval" with 1X1 inner-product vectors)
- Ditto (by "sbval" without dummy elements)
- Chemcad
- Chemcad Overview by Vivek Dwivedi
- Chemcad Tutorial
- Semester Review
- Final Examination & Solution
|
|
|
|
|
| Postscript
|
|
|
|
Major mathematical packages that we did not cover:
|
|
|
