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Course Info (this information is available in alternative format upon request)

Course	ECH3854---Chemical Engineering Computations
Instructor	Dr. R. Chella
E-mail:	rchella@eng.fsu.edu
Class Time	TR 5:15-6:30 pm (B115)
Office Hours	TR 3:00pm-5:00am
Prerequisites	CGS 3460 or COP 3110, MAP 3305, and ECH 3264, or equivalents

Text

A. Constantinides and N. Mostoufi, Numerical Methods for Chemical Engineers with MATLAB Applications, Prentice Hall(1999).

Web Resources

The home page for this class is at http://www.eng.fsu.edu/~rchella/ech3854/. A discussion board is also available where students may post questions on material covered in class, homework problems, and any other general questions relevant to the course. Other student are strongly encouraged to respond to questions posted. The instructor will also participate in the discussion, and occasionally introduce topics for discussion. There is extensive information available on the WWW related to this course. Several links will be provided on the class Web page.

References

Supplementary class notes posted on course website
W.H. Press, S.A. Teukolsky, W.T. Vetterling and B.P. Flannery, Numerical Recipes in Fortran, Cambridge University Press, New York, 1994.
W.H. Press, S.A. Teukolsky, W.T. Vetterling and B.P. Flannery, Numerical Recipes in C, Cambridge University Press, 1994.
D. Hanselman and B. Littlefield, Mastering MATLAB 5, Prentice Hall, 1998.

Objectives

To provide an introduction to effective computational techniques for solving common numerical problems that arise in chemical engineering applications. In addition, to lay the foundation for efficient scientific programming, and provide programming experience in a high level language such as Fortran, C or MATLAB.

Course Outline

Introduction - review of fundamental results from calculus; computer representation of numbers; errors in computation; error propagation.
Linear System of Equations - direct methods: Gaussian elimination and factorization; iterative methods: Jacobi, Gauss-Siedel, and Succesive Over Relaxation (SOR).
Nonlinear Equations - Bracketing methods: bisection and Regula Falsi; fixed-point methods: Newton-Raphson and secant; zeros of polynomials.
Interpolation and Approximation - Polynomial interpolation; divided differences and Newton's formula; spline interpolation; least squares methods, maximum ikelihood estimators.
Numerical Differentiation and Integration - Quadrature: trapezoidal, Simpson's and corrected trapezoidal rules. Richardson extrapolation; numerical differentiation.
Ordinary Differential Equations -- Initial Value Problems Taylor's series methods: Euler and Runge-Kutta methods; multi-step and implicit methods, predictor-corrector methods; higher order differential equations and systems of differential equations.
Ordinary Differrential Equations --- Boundary Value Problems finite-difference methods; shooting methods.

Background

This course heavily relies on basic concepts of algebra and calculus, such as limits, differentiation and integration, Taylor series expansions, vectors, matrices and systems of linear equations. Please review your calculus and engineering mathematics, if necessary. You should also be familiar with a programming in a high-level programming language such as Fortran or C.

Computer Usage

FORTRAN and C compilers, and the MATLAB package, are available on the COE computer server. Please familiarize yourself with the COE UNIX system. If you do not have an account on the COE Engineering system, information on obtaining a new account, as well as configuration of your account for printer, email and Internet browser usage, is available at http://www.eng.fsu.edu/CFS/userman.html. Information is also available at http://www.eng.fsu.edu/CFS/remoacc.html on accessing the COE computers by telephone. You should be able to perform basic operations such as creating and editing files using a text editor such as Pico, emacs, or vi, using an an internet browser such as Netscape Navigator or Microsoft Explorer to access information on the World Wide Web, etc. Most programming in the course will be done in the high-level computational and visualization programming language MATLAB course. You may also consider purchasing the student edition of MATLAB, that includes software that can be installed on your personal computer, as well as a User Guide.

Grading Policy

Homeworks/Quizzes	20%
2 Midterm Exams	40%
Final Exam	40%

Homeworks/Quizzes

There will be several homeworks assigned during the course of the semester. Homeworks are due one week from the date of assignment, at the beginning of the class session. There will be no credit for late homeworks. There will be five quizzes of fifteen minutes duration each. These will be based on the homework and reading assignments.

Exams

There will be two mid-term exams. The midterm exams will be ``closed-book'', i.e. no access to texts or class notes are permitted, but students may bring in one sheet of personal notes. If you miss the mid-term exam for any reason, you will have to take a make-up mid-term exam to be held in the final week of classes. The make-up exam will be based on all the material in the course. For the final exam, which will be based on all the material covered in the course, students may bring in with them upto five sheets of personal notes.

Honor Code

All students are bound by the honor code of their university. Please review the honor code in your student handbook.