CHEE 4367 (Required) Chemical Reaction Engineering

Catalog listing: CHEE 4367: Chemical Reaction Engineering Cr. 3. (3-0). Prerequisites: CHEE 3367, CHEE 3369 and CHEE 3462. Chemical reaction kinetics: Reactor design of batch, CSTR and plug-flow reactors and mixed reactors configuration under isothermal and non-isothermal operation; Impact of non-ideal flow and mixing: Introduction to heterogeneous catalytic reactions in flow systems.

The course website on Blackboard will be updated regularly with homework assignments, handouts, and other informative links (http://blackboard.egr.uh.edu/).

Course Description and Goals: The goals of this course are to develop a fundamental understanding of reaction engineering and improve critical thinking skills. These goals will be achieved through a course structure that promotes problem solving through reasoning and creative thinking rather than through memorization. The course material will draw upon the six pillars of chemical reaction engineering, which are mole balances, rate laws, stoichiometry, energy balances, diffusion, and contacting. The basic concepts covered in these topics will be a foundation for solving a wide variety of problems: reactor design of batch, CSTR and plug-flow reactors and mixed reactors configuration under isothermal and non-isothermal operation; impact of non-ideal flow and mixing; introduction to heterogeneous catalytic reactions in flow systems. The textbook for this course facilitates learning through clearly written derivations and examples along with a CD- ROM that contains summary notes, web modules, computer modules, solved problems, living example problems, and a reference shelf. Students are strongly encouraged to use these materials, as outlined in Figure P-4 of the textbook, to enhance critical and creative thinking.

Instructor: Jeffrey D. Rimer Office: S227 Engineering Bldg. 1, Dept. Chemical and Biomolecular Engineering Phone: 713-743-4136 Email: [email protected] Office Hours: Tuesday and Thursday, 4:00 – 5:00 PM TAs: Di Wang, Room S183A, [email protected], 713-743-0999, Office hours: Th 10:00 AM – 12:00 PM Arun S. Kota, Room S256B, [email protected], 713-743-4345, Office hours: MW 11:00 AM – 12:00 PM.

Prerequisites by Topic: 1. Knowledge of basic principles of fluid flow, thermodynamics, mass and heat transport. 2. Knowledge of basic principles of unit operations. 3. Knowledge of solution of first-order differential equations. 4. Basic knowledge of mathematical modeling.

Textbook: Fogler, H. Scott, “Elements of Chemical Reaction Engineering”, 4th Ed. 2006, Prentice Hall Publishers, ISBN 978-0130473944

Course Grading: Exam 1 25 % Exam 2 25 % Final Exam 25 % Quizzes 15 % Homework 10 % 100 %

• Homework: 10 homework sets will be distributed throughout the semester, averaging one per week except weeks of exams. Homework assignments will be discussed in class the day they are due, hence late assignments will NOT be accepted without prior arrangement. o Guidelines: homework assignments must meet professional standards. Each problem must be clearly labeled on single-sided pages that are stapled together. Please write homework neatly to help the instructor easily grade assignments. Supporting information (i.e. spreadsheets, printouts and graphics) may be attached. Your name (neatly printed) should be written on the top of the first page, and if you work together with other group members their names should also be indicated. o General Rules: you may choose to work on homework assignments individually or in groups. Working in groups is encouraged, but the impact of homework assignments on your grade is determined much more by the influence the experience has on your exam performance than on the percentage homework contributes to your overall grade. If you work in groups, you should each prepare your own written answers based on the group discussion. • Exams: two exams will be given during the semester, and a final exam will be comprehensive. • Quizzes: unannounced in-class quizzes will be given periodically throughout the semester to test your comprehension of the material. • Reading: your understanding of the course material and your ability to follow lectures in class will be substantially aided by reading the relevant textbook sections in advance. Weekly reading assignments will be provided, and should be completed before the first class of each week. • Class Participation: participation in class discussions during lectures is strongly encouraged. Discretionary grades of up to 5% will be assigned based on classroom performance and the level of active engagement. • Course Add/Drop: the last day to add the course is Aug 30th, the last day to drop the course without a grade is Sept 8th, and the last day to drop the course with a “W” is Nov 3rd.

Expected Student Outcomes: Demonstrate the ability to quantitatively predict the performance of common chemical reactors using simplified engineering models. (a,e) 5

5 Lowercase letters in parentheses refer to ABET outcomes under Criterion 3 (see Appendix). Demonstrate the ability to design a set of experiments from which the kinetic model of a multi-reaction system can be determined and use this information to design a commercial reactor. (a,c,e,k) Demonstrate the ability to select the proper reactor configuration for a process involving one or two reactions. (a,c,e) Demonstrate the ability to predict the rate of reaction for heterogeneous catalysis. (a,e) Demonstrate the ability to predict the effectiveness factor and the impact of diffusion on the intrinsic kinetics of catalytic reactions. (a,e) Demonstrate the ability to apply reaction engineering tools and methodology to novel emerging technologies, such as production of bio-fuels, pollution abatement, etc. (a,c,e,i,j,k) Topics: (each class is 90 minutes, two classes per week). A list of topics each week and homework assignments covered is listed below.

Schedule of Lecture Topics, Homework Assignments, and Course Reading Materials

Date Topic Reading Assignments Assignment 8/23 Introduction: reaction rate, reactor Fogler Ch. 1 HW1 (Due 8/30) molar balances, conversion Fogler Ch. 2.1 – 2.3 8/25 Stoichiometry and thermodynamics Fogler Ch. 3 8/30 Rate laws, transition state theory Fogler Ch. 3 HW2 (Due 9/8) 9/1 Batch and differential reactors Fogler Ch. 5 HW3 (Due 9/13) 9/6 Labor Day (No Class) 9/8 Data acquisition & analysis Fogler Ch. 5 9/13 Reactor Design: CSTR Fogler Ch. 4 HW4 (Due 9/20) 9/15 Reactor Design: PFR Fogler Ch. 4 9/20 Reactor Design: Pressure drop Fogler Ch. 4 Recitation problem set 9/22 Reactor sizing and design Fogler Ch. 2.4 – 2.6 9/27 Residence time distribution Fogler Ch.13.1 – 13.4 9/29 Exam 1 (In Class) 10/4 Multiple reactions Fogler Ch. 6 HW5 (Due 10/11) 10/6 Multiple reactions Fogler Ch. 6 10/11 Multiple reactions Fogler Ch. 6 HW6 (Due 10/18) Energy balances Fogler Ch. 8 10/13 Adiabatic operation Fogler Ch. 8 10/18 Heat exchange: PFR & CSTR Fogler Ch. 8 HW7 (Due 10/25) 10/20 Ignition-extinction, equilibrium Fogler Ch. 8 conversion 10/25 Intermediates, nonelementary Fogler Ch. 7.1 HW8 (Due 11/1) reactions 10/27 Catalysis, reaction mechanisms Fogler Ch. 10 11/1 Heterogeneous reactions Fogler Ch. 10 11/3 Heterogeneous reactions Fogler Ch. 10 Recitation problem set 11/6 Exam 2 (Saturday morning) 11/8 AICHE Week – COMSOL Tutorial 11/10 AICHE Week – COMSOL Tutorial 11/15 Diffusion review Fogler Ch. 11 HW9 (Due 11/22) 11/17 Diffusion (heterogeneous reaction) Fogler Ch. 11 11/22 Spherical catalysts: Thiele modulus Fogler Ch. 12 HW10 (Due 11/29) 11/24 Spherical catalysts: Effectiveness Fogler Ch. 12 factor 11/29 Rate limiting steps Fogler Ch. 12 12/1 Enzymatic reactions and bioreactors Fogler Ch. 7.2 – 7.4 Recitation problem set TBA Final Exam

Appendix ABET Outcome, Criterion 3 Program-Specific Outcomes (a) an ability to apply knowledge • Use chemistry and physics concepts to set up and solve chemical of mathematics, engineering problems science and engineering. • Use mathematical tools to solve chemical engineering problems (b) an ability to design and • Select appropriate experimental equipment and techniques conduct experiments as well as to necessary to solve a given problem analyze and interpret data. • Evaluate and interpret experimental results using statistical tools and chemical engineering concepts (c) an ability to design a system, • Apply material and energy balance concepts to design a unit component, or process to meet operation desired needs within realistic • Define objectives and perform the design of an integrated chemical constraints such as economic, process under realistic constraints environmental, social, political, ethical, health & safety, manufacturability, and sustainability. (d) an ability to function on • Define roles and responsibilities to align with capabilities of team multi-disciplinary teams. members and fulfill project requirements • Develop and carry out a project plan through team work (e) an ability to identify, • Translate an engineering problem into a mathematical model or formulate and solve engineering other suitable abstraction problems. • Use mathematical model or other suitable abstraction to solve an engineering problem and interpret results (f) an understanding of • Demonstrate knowledge of professional code of ethics. professional and ethical • Identify ethical issues and make decisions for a chemical responsibility. engineering problem.

(g) an ability to communicate • Make presentations that are factual and tailored to the audience effectively. • Can communicate in writing to non-technical and technical audiences (h) the broad education necessary • Understand the impact of chemical engineering solutions in a to understand the impact of global, economic, environmental, and societal context. engineering solutions in a global, economic, environmental, and societal context. (i) a recognition of the need for • Recognize the importance of advanced education and development and an ability to engage in life- opportunities long learning. • Identify, retrieve, and organize information necessary to solve open-ended problems (j) a knowledge of contemporary • Know the interplay between current technical and societal issues issues. • Know the recent history, current status, and future trends of chemical engineering (k) an ability to use the • Use modern software to solve chemical engineering problems techniques, skills, and modern • Understand how to operate equipment relevant to chemical engineering tools necessary for engineering systems engineering practice.