Department of Chemical Engineering University of Florida. COT 3502 Computer Model Formulation Spring 2013

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1 University of Florida COT 3502 Computer Model Formulation Spring 2013 Course Title: Credits: Computer Model Formulation 4 credit hours Catalog Description: Solutions of scientific and engineering problems using digital computers. Formulation of models for describing physical processes, numerical analysis and computer programming. Prerequisite: Material and Energy Balances (ECH 3023) Co-requisite: Differential Equations (MAP 2302) Instructor: Prof. Dmitry I. Kopelevich Office: CHE 315 Phone: dkopelevich@che.ufl.edu Office hours: Mondays, 1:00 to 3:00 pm. If you cannot make it at this time, please for an appointment. Graduate Teaching Assistant: Mert Arca Office: CHE mertarca@ufl.edu Office Hours: Wednesdays, 3:00 pm to 5:00 pm. Grader: Jai Kant. jkant@ufl.edu Class meetings: Tuesdays and Thursdays, periods 2-3 (8:30 pm to 10:25 pm), Room FLG 280. Textbook: Richard A. Davis, Practical Numerical Methods for Chemical Engineers (2012). Course website: Additional course materials, including homework assignments and solutions, will be posted on the e-learning website, Furthermore, the course website contains a discussion forum on which the students are welcome to post questions related to the course material. These questions will be answered by the instructor or the TA on a daily basis. In addition, the students are encouraged to provide answers to their classmates questions on the forum.

2 Course Objectives This course is designed to teach students to: (i) Develop mathematical formulations for engineering problems (ii) Apply appropriate analytical and numerical approximations (iii) Write programming code (iv) Learn and apply elementary numerical algorithms (v) Improve problem solving skills Course Outline (Exact dates and reading and homework assignments will be posted on the course website) 1. Model Development from Problem Statement 2. Advanced Features of MS Excel 3. Programming in Visual Basic for Applications (VBA) 4. Analytical and Numerical Solution of Linear Algebraic Equations 4.1. Linear Dependence 4.2. Gauss Elimination 4.3. Matrix Condition Number 5. Taylor Series Analysis 5.1. Finite-difference Approximation of Derivatives 5.2. Truncation Errors 6. Numerical Solution of Nonlinear Algebraic Equations 6.1. Bracketing Method 6.2. Newton s Method 6.3. Systems of Nonlinear Equations 7. Uncertainty Analysis 7.1. Estimation of Uncertainty 7.2. Propagation of Uncertainty 8. Data Modeling 8.1. Least-Squares Regression 8.2. Interpolation and Splines 9. Integration of functions 9.1. Rectangle, Trapezoidal, and Simpson s Rules 10. Analytic Solution of Linear Ordinary Differential Equations (ODEs) Eigenvalues and Eigenvectors Solving ODEs using Eigenvalues and Eigenvectors 11. Numerical Solution of Initial Value Problems for ODEs Euler s Method Second Order Methods Runge-Kutta Methods Solutions of Multivariable Systems 12. Boundary Value Problems for ODEs and PDEs Shooting Method Finite-Difference Methods 2

3 Grading Criteria The grade will be determined according to the following weighting criteria: Midterm 1: 20 % Midterm 2: 20 % Final exam: 30 % Homework: 20 % Quizzes: 10% In borderline cases, class participation will be factored into the course grade. Class Attendance Students are strongly encouraged to attend all lectures, although attendance is not required. It is student s responsibility to obtain the information (e.g. notes, assignments, and announcements) that they have missed due to their absence. Exam and Quiz Policy The final exam is scheduled to take place on Thursday, May 2, 5:30 p.m. - 7:30 p.m. (group 2E). Dates of the midterm exams will be announced in class and posted on the course website. Exams and quizzes will be rescheduled only for those students who missed them due to an acceptable reason (illness, serious family emergencies, military obligation, religious holidays, and participation in official university activities) as listed in the undergraduate catalog ( It is required that whenever possible the student notifies the instructor about the situation before the exam. Students arriving late for a quiz/exam will be given only the balance of time remaining to complete their work unless an acceptable reason (see above) is provided. Students may not leave the room during a quiz/exam except in emergencies. Students may use their course notes and the textbook during quizzes but not during the exams. Use of any other material is not allowed. Only a basic (i.e. not graphing, programmable, etc.) scientific calculator can be used during exams and quizzes. Use of other electronic devices (graphing calculators, cell phones, laptops, tablets, etc.) is not allowed unless announced otherwise before the exam or quiz. Only one solution per problem should be turned in. If a student turns in two or more different solutions for the same problem, all of them will be graded but only the lowest of these grades will be counted towards the exam or quiz grade. The motivation for this policy is that the students should learn to identify correct solutions without outside help. Homework Policy A failing grade will be assigned to students whose cumulative homework grade is less than 50%. Homework will be assigned on a 1-2 week basis. Homework will involve both hand-written and computer assignments. Hand-written part of the homework assignments must be submitted in class on the due date Computer part of the homework assignments must be uploaded to the Drop Box on e-learning website by 5pm on the due date. 3

4 Late homework submissions will not be accepted. Homework solutions will be posted on the e-learning website after the due date. Format for Hand-Written Assignments (Exams, Quizzes, and Homework) Write name, date, COT 3502, and exam/quiz/homework number on top of the front page. Write page number on each page. Write (neatly) on 8.5x11 inch sheets of paper. Staple all pages together. Begin each new problem on a new page. Clearly indicate the problem number. Clearly identify solutions by boxing all final and intermediate answers. Include enough details to justify your solutions. Format for Computer Assignments Please use the following convention for filenames: LastName_HW#_problem# (e.g. Kopelevich_HW3_problem4.xlsx) Please do not use spaces or special symbols in the file names. This may create problems in downloading files from the Drop Box. Typically, your file will contain a VBA code and a spreadsheet. Both the code and the spreadsheet should be well commented. Provide instructions for executing your code. Clearly mark spreadsheet cells containing input and output of your code. Academic Honesty All students admitted to the University of Florida have signed a statement of academic honesty committing themselves to be honest in all academic work and understanding that failure to comply with this commitment will result in disciplinary action. This statement is a reminder to uphold your obligation as a student at the University of Florida and to be honest in all work submitted and exams taken in this class and all others. Work submitted must be produced individually by each student, except for tasks explicitly assigned to a group by the instructor. All work submitted individually in the form of exams, homework, computer projects, etc., is subject to the following pledge: On my honor, I have neither given nor received unauthorized aid in doing this assignment. Cooperation Policy Students are free to consult among themselves on the approach taken to solve any homework problem. However, copying homework solutions is a violation of the Honor Code. In particular, showing other students a copy of the actual manuscript or computer code to be submitted as homework is not allowed. Acceptable consultation includes discussing which equations should be used for solving a problem, writing down relevant relationships, etc. No consultation among students is allowed during quizzes and exams. Plagiarism 4

5 Students are not permitted to represent as their own work all or any portion of the work of another. Plagiarism includes (but is not limited to) submitting a document or assignment which in whole or in part is identical or substantially identical to a document or assignment not authored by the student. Falsified Information Students are not permitted to use or report any invented or fabricated information or data. For example, in computer assignments the students are not to report any results that were not produced by their code. Sanctions Since ethical behavior in science and engineering is equal in importance to specific knowledge, the instructor will assign a non-passing letter grade to students who violate academic honesty standards, regardless of the violator's grade performance in class. 5

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