






Course Information and Schedule:


Lectures: Monday, Wednesday and Friday, 2:002:50 p.m., 97 Alumni Arena
Recitation: Friday, 3:004:50 p.m., 97 Alumni Arena
Instructor:
Mark T. Swihart
swihart@buffalo.edu
506 Furnas Hall
6451181
Office Hours:
10:00 a.m.  12:00 noon on Mondays
10:00 a.m.  11:00 a.m. on Wednesdays
10:00 a.m.  12:00 noon on Fridays
or by appointment.
Outside of these hours, students will usually be welcomed, but may sometimes told to come back later.
Teaching Assistant:
Mitali China
mchina@buffalo.edu
Office Hours:
12:00 noon 1:00 p.m. on Mondays
2:00 p.m.  4:00 p.m. on Tuesdays
3:00 a.m.  5:00 a.m. on Thursdays
in room 503 Furnas Hall
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:
Exams: There will be two exams, each determining 25% of the final grade. The first exam (midway through the semester) will cover the chemical kinetics portion of course. The second exam (during finals week) will cover the reaction engineering portion of course.
Project: Students, in teams of up to 3 people, will complete a substantial project/report on a topic of current interest in chemical kinetics or reaction engineering. This will be due at the end of the semester and will determine 25% of the final grade. Initial project proposals will be due on October 14th. The project assignment is linked here.
Homework: Problem sets will be assigned each Monday, due the following Monday. These will count for 25% of the final grade. Exam problems will be closely related to the homework assignments. Working together on homework problems is encouraged. Copying from homework solutions from past years is not allowed. I am aware that many homework problems are similar to (if not identical to) ones that I have used in previous years, and I am aware that some of you may have access to my posted solutions from past years. However, if you simply copy or adapt these previous solutions without fully understanding how to solve the problems, you are unlikely to be very successful on the course exams, and as a result are likely to do poorly in the course. Moreover, copying from these solutions constitutes academic dishonesty, which has severe consequences, as discussed further below.
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

8/319/4

Review
Introduction and Review

Review
More review – definitions,
classical approximation methods

Kinetic Simulations
Matrix methods for integrating
rate equations

9/79/11

Labor Day
No Class

Kinetic Simulations
Stochastic methods and Kinetic
Monte Carlo

Kinetic Simulations
Numerical methods and codes
for stiff ODE’s

9/149/18

Kinetic Simulations
Sensitivity analysis and rate parameter fitting

Kinetic Simulations
Sensitivity analysis and rate parameter fitting

Reaction Rate Theory
Simple collision theory

9/219/25

Reaction Rate Theory
Potential energy surfaces

Reaction Rate Theory
Potential energy surfaces 
Reaction Rate Theory
Transition state theory 
9/2810/2

Yom Kippur
No Class 
Reaction Rate Theory
Unimolecular reactions 
Reaction Rate Theory
Thermochemical and kinetic estimation methods 
10/510/9

ECS meeting
Activity TBD 
ECS meeting
Activity TBD 
ECS meeting
Activity TBD 
10/1210/16

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 
10/1910/23

Condensed Phase and Surface Reactions
Heterogeneous catalysis 
Coupled Reaction and Transport
Interfacial gradient effects 
Coupled Reaction and Transport
Intraparticle gradient effects 
10/2610/30

Coupled Reaction and Transport
Intraparticle gradient effects 
AAAR meeting
Activity TBD 
First Exam: Chemical Kinetics
2:00 p.m. to 5:00 p.m. 
11/211/6

Fundamental Equations for Reactor Engineering
Presentation of balance equations 
Fundamental Equations for Reactor Engineering
Simplifications for CSTR, PFTR 
Batch and SemiBatch Reactors
Basic models, Optimization 
11/911/13

The Ideal Plug Flow Reactor
Basic models, Optimization 
The Ideal Plug Flow Reactor
Optimal Temperature 
The Continuous StirredTank Reactor (CSTR)
Basic Cases, Optimal Operation 
11/1611/20

The CSTR (cont.)
Transient solutions, multiplicity, stability of steady states 
NonIdeal Reactors
Residence time distributions 
NonIdeal Reactors
Project Progress Reports Due 
11/2311/27

Numerical Solution of Boundary Value Problems

Fall Recess
No Class 
Fall Recess
No Class 
11/3012/4

Numerical Solution of Boundary Value Problems

The FixedBed Catalytic Reactor

Detailed Example of Fixedbed
Catalytic Reactor Modeling

12/712/11

Detailed Example of Fixedbed
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.
