|
||||||||||
|
||||||||||
|
|
|
|
| Course Information and Schedule:
|
|
Lectures: Monday, Wednesday and Friday, 2:00-2:50 p.m., 97 Alumni Arena Instructor: Office Hours: Outside of these hours, students will usually be welcomed, but may sometimes told to come back later. Teaching Assistant: Office Hours: Description: This course will provide an overview of applied chemical kinetics and reaction engineering at an intermediate to advanced level. Coverage will be relatively broad and shallow. The goal is to provide students with the vocabulary, modeling tools, and theoretical background to understand current chemical kinetics and reaction engineering literature and to tackle the sort of complex problems that they will encounter in their dissertation research and beyond. Prerequisites: Students are expected to be familiar with the material commonly presented in undergraduate kinetics and reaction engineering courses (see for example the texts by Fogler, Schmidt, or Hill listed on bibliography page linked below). Only a brief review of this material will be presented. However, knowledge of it will be necessary to succeed on the course exams and, where applicable, the Ph.D. qualifying exams. Background in calculus, ordinary differential equations, linear algebra, numerical methods, statistical mechanics, quantum mechanics, and general physical chemistry will also be helpful at various points in the course. Grade Basis:
Text: There is no required textbook for this course. Much of the material in the chemical kinetics portion of the course is based on ‘Chemical Kinetics and Dynamics’ by Steinfeld, Francisco, and Hase. Much of the reaction engineering portion of the course is based on ‘Chemical Reactor Analysis and Design’ by Froment and Bischoff. Lecture notes will be posted on the course web page prior to class. Other books that you may find useful are listed on the bibliography sheet linked here. Matlab will be used extensively in this course. Purchase of the Matlab Student version ($29.95 at UBMicro, http://ubmicro.buffalo.edu) is highly recommended. Matlab is also available on many public computers at UB, including those in Bell Hall and in 1019 Furnas. |
|
Tentative Course Schedule
|
Week |
Monday |
Wednesday |
Friday |
|
8/31-9/4 |
Review Introduction and Review |
Review More review – definitions, classical approximation methods |
Kinetic Simulations Matrix methods for integrating rate equations |
|
9/7-9/11 |
Labor Day No Class |
Kinetic Simulations Stochastic methods and Kinetic Monte Carlo |
Kinetic Simulations Numerical methods and codes for stiff ODE’s |
|
9/14-9/18 |
Kinetic Simulations Sensitivity analysis and rate parameter fitting |
Kinetic Simulations Sensitivity analysis and rate parameter fitting |
Reaction Rate Theory Simple collision theory |
|
9/21-9/25 |
Reaction Rate Theory Potential energy surfaces |
Reaction Rate Theory Potential energy surfaces |
Reaction Rate Theory Transition state theory |
|
9/28-10/2 |
Yom Kippur No Class |
Reaction Rate Theory Unimolecular reactions |
Reaction Rate Theory Thermochemical and kinetic estimation methods |
|
10/5-10/9 |
ECS meeting Activity TBD |
ECS meeting Activity TBD |
ECS meeting Activity TBD |
|
10/12-10/16 |
Library Resources at UB, by Nancy Schiller Room 109 Lockwood Hall |
Condensed Phase and Surface Reactions Reactions in liquids Project Proposals Due |
Condensed Phase and Surface Reactions Heterogeneous catalysis |
|
10/19-10/23 |
Condensed Phase and Surface Reactions Heterogeneous catalysis |
Coupled Reaction and Transport Interfacial gradient effects |
Coupled Reaction and Transport Intraparticle gradient effects |
|
10/26-10/30 |
Coupled Reaction and Transport Intraparticle gradient effects |
AAAR meeting Activity TBD |
First Exam: Chemical Kinetics 2:00 p.m. to 5:00 p.m. |
|
11/2-11/6 |
Fundamental Equations for Reactor Engineering Presentation of balance equations |
Fundamental Equations for Reactor Engineering Simplifications for CSTR, PFTR |
Batch and Semi-Batch Reactors Basic models, Optimization |
|
11/9-11/13 |
The Ideal Plug Flow Reactor Basic models, Optimization |
The Ideal Plug Flow Reactor Optimal Temperature |
The Continuous Stirred-Tank Reactor (CSTR) Basic Cases, Optimal Operation |
|
11/16-11/20 |
The CSTR (cont.) Transient solutions, multiplicity, stability of steady states |
Non-Ideal Reactors Residence time distributions |
Non-Ideal Reactors Project Progress Reports Due |
|
11/23-11/27 |
Numerical Solution of Boundary Value Problems |
Fall Recess No Class |
Fall Recess No Class |
|
11/30-12/4 |
Numerical Solution of Boundary Value Problems |
The Fixed-Bed Catalytic Reactor |
Detailed Example of Fixed-bed Catalytic Reactor Modeling |
|
12/7-12/11 |
Detailed Example of Fixed-bed Catalytic Reactor Design |
Complex Reactors CVD reactors |
Complex Reactors Fluidized beds |
|
Additional Topics if time Permits |
Complex Reactors Fermentation and biochemical reactors |
Final project due by the end of the last day of exams (Dec. 21) |
Second Exam: Reactor Engineering – TBD, during final exam week |
STATEMENT ON ACADEMIC INTEGRITY
As part of the first homework assignment, you should read and sign the Policy on Academic Honesty and Integrity. A more general statement on adacemic integrity, from the graduate school policies and procedures is given here:
Academic integrity is a fundamental university value. Through the honest completion of academic work, students sustain the integrity of the university while facilitating the university's imperative for the transmission of knowledge and culture based upon the generation of new and innovative ideas.
When an instance of suspected or alleged academic dishonesty by a student arises, it shall be resolved according to the procedures set forth in the Graduate School Policies and Procedures (see http://www.grad.buffalo.edu/policies/academicintegrity.php). These procedures assume that many questions of academic dishonesty will be resolved through consultative resolution between the student and the instructor.
Examples of Academic Dishonesty
Academic dishonesty includes, but is not limited to, the following:
- Previously submitted work. Submitting academically required material that has been previously submitted -- in whole or in substantial part -- in another course, without prior and expressed consent of the instructor.
- Plagiarism. Copying or receiving material from any source and submitting that material as one's own, without acknowledging and citing the particular debts to the source (quotations, paraphrases, basic ideas), or in any other manner representing the work of another as one's own.
- Cheating. Soliciting and/or receiving information from, or providing information to, another student or any other unauthorized source (including electronic sources such as cellular phones and PDAs), with the intent to deceive while completing an examination or individual assignment.
- Falsification of academic materials. Fabricating laboratory materials, notes, reports, or any forms of computer data; forging an instructor's name or initials; resubmitting an examination or assignment for reevaluation which has been altered without the instructor's authorization; or submitting a report, paper, materials, computer data, or examination (or any considerable part thereof) prepared by any person other than the student responsible for the assignment.
- Misrepresentation of documents. Forgery, alteration, or misuse of any University or Official document, record, or instrument of identification.
- Confidential academic materials. Procurement, distribution or acceptance of examinations or laboratory results without prior and expressed consent of the instructor.
- Selling academic assignments. No person shall sell or offer for sale to any person enrolled at the University at Buffalo any academic assignment, or any inappropriate assistance in the preparation, research, or writing of any assignment, which the seller knows, or has reason to believe, is intended for submission in fulfillment of any course or academic program requirement.
- Purchasing academic assignments. No person shall purchase an academic assignment intended for submission in fulfillment of any course or academic program requirement.