Chemistry 312
Statistical Thermodynamics and Kinetics

Spring 2019

Administrative Information

Class meets: MWF 10:10-11:05am in SCST 129
Optional Class Text: Any Physical Chemistry textbook for your reference. Popular ones include Atkins and de Paula; Engel and Reid; McQuarrie and Simon; Levine; Barrow; Silbey and Alberty. I will not be following a textbook closely so it does not matter which one you use as a reference if you so choose. (The closest one to my teaching framework is Barrow.)
Copley library also has access to an online P-Chem textbook by Kolasinski (link here).

Instructor: Dr. Jeremy Kua
Office: SCST 381
Phone: (619) 260-7970
E-mail:
Office hours: Mon 12:45-2pm, Tue 3-4:15pm, Wed 12:45-2pm, Thu 10-11:15am

Why should I care? What is thermodynamics? Does the Second Law of Thermodynamics constrain me to get progressively disorganized and messy as life goes on? Does everything that we observe hinge simply on statistics and what is most probable? How do you count zillions and zillions of probability states anyway and why should I bother? If you've ever asked yourself any of these questions, then this course will begin to answer some of them, but it will also bring up more nagging, but vitally interesting, questions!

Course goals: To understand and apply thermodynamics and kinetics to chemistry. This course will begin with the study of gases as an example of how microscopic properties relate to macroscopic properties. It will then cover the first three laws of thermodynamics, free energy, and kinetics.

Learning outcomes: At the end of the course you will be able to derive the molecular properties of thermodynamics from statistical mechanics and apply this knowledge to solve various chemical problems, both macroscopic and microscopic, involving thermodynamics and kinetics.
More specifically you should be able to:
1. derive and apply thermodynamic expressions based on equations of state
2. apply the conceptual and theoretical tenets of the three laws of thermodynamics
3. apply the concepts of enthalpy, entropy, free energy, and their relationships to thermochemistry and equilibrium
4. derive and apply the equations of statistical mechanics to bridge the microscopic and macroscopic views of molecular behavior
5. derive and apply the equations that describe the molecular and macroscopic aspects of chemical rate laws
6. apply the concepts of thermodynamics to the various states of matter, their transitions, and to mixtures

Course requirements:
1. There will be three in-class exams and one Final Exam. There will be seven problem sets and three mock-exam questions which you will submit.

2. A good grasp of calculus is important for understanding the material and completing the problem sets and exams. It is your responsibility to refamiliarize yourself with your calculus text if you need a refresher. You are also expected to be familiar with anything covered in General Chemistry (CHEM151 and CHEM152).

3a. Collaboration is allowed, and even encouraged, on Problem Sets but each student must write up their own work. Be sure to show how you arrived at your answer, particularly if you got help from a classmate. Intermediate steps must be shown (you'll need to show these on Exams too).
3b. You are most welcome to work in groups to generate mock exam questions. If you submit your work as a group, the number of mock questions must equal the number of group members, and the questions must not be similar to each other. A group submission may not exceed five questions.
3c. There will be NO collaboration on any exam. You do need to really understand the material deep down in your very own self.

4a. Grade breakdown is as follows:
                7 Problem Sets @ 2% each      14%
                3 Mock Questions @ 1% each   3%
                3 Exams @ 17% each              51%
                Final Exam                               32%
4b. Tentative Grading Scale (subject to change by the instructor at any time)
                A        87-100%
                B        74-86%
                C        61-73%
                D        48-60%
                F           0-47%
Appended + and - will approximately constitute 2% widths at either end of the scale for A-D grades.

5a. Note the Three stages of a Problem Set:
  • Before the "Finish By" date, try your best to finish the Problems. Come by my office if you get stuck and need some help!
  • In class, on the "Finish By" date, I will hand out the solutions. You will then have the opportunity to add comments to your Problem Set in a different color describing how your answer might have been improved or where you got stuck and why.
  • On the "Due Date", turn in your Problem Set. I will look through it and assign you a grade. Generally you will get full credit if you made a good faith effort to follow the two-color scheme above.
5b. You may opt NOT to turn in a problem set because you hardly worked on it, i.e., completed less than half before the "Finish By" date. If so, the grade on that problem set will be shifted to the subsequent exam. For example, if you didn't turn in one problem set (normally worth 2%), your next exam is worth 19% rather than 17%. I DISCOURAGE you from doing this on a regular basis because struggling your way through the Problem Set is a good way to learn the material and prepare for exams.
5c. You will submit one mock exam question before each midterm exam. Submitting a question earns you credit. Particularly excellent questions will receive a small unspecified amount of extra credit.
5d. There are no make-up exams. If you have a very good reason for missing an exam you have to let me know beforehand or as soon as possible. If I judge the reason to be valid and you did let me know beforehand or ASAP, an alternative will be available (probably in the form of an oral exam where I ask you anything I would have expected you to know on the exam).
5e. If your Final Exam grade is better than your cumulative grade for the semester, your Final Exam grade will replace your cumulative grade.

6a. Students are most welcome to come in during office hours. Generally if my office door is wide open even if not during my office hours, you're more than welcome to stop by. Remember, I'm here to help you master the material. On the rare instances I'm super-busy right when you appear, I'll just ask you to come back a little later. I check my e-mail reasonably often during working hours so you can contact me that way too. (Don't expect replies on weekends and evenings.)
6b. I love talking about the statistical thermodynamics and entropy and the strangeness of the universe we live in. So if you have a wild thought or idea, I'd probably be interested in hearing it while giving you a dose of my wild ideas. Hopefully that will be obvious from class!

7a. All students are expected to adhere strictly to the Academic Integrity policy. Violations will be dealt with through the Dean of College of Arts and Sciences, in accordance with the University of San Diego policy on academic integrity.
7b. Use of a Solutions Manual (online or hard copy) or solution set from current or previous years without authorization from the instructor is considered a breach of academic integrity that carries consequences. (You also don't learn the material by looking at the answers first!) Better to not turn in your problem set, then attempt to pass off someone else's answers as your own.

Learning Recommendations
• Look through the worksheet BEFORE each class so you have a rough idea what we'll be talking about, and answer any pre-class questions.
• As soon as possible after class, go over your notes (and peruse the section in a textbook if needed) to make sure you understand what we covered in class. Come ask me if you're confused.
• Then start working on the Problem Set questions (if any) related to what we covered each class. Don't wait until the "Finish By" date.
• Get help (ask me or your classmates) if you're stuck on a problem. It's very, very important to do the hard work of working through the problems before the "Finish By" date. You should essentially have a "ready to turn in" problem set.
• Later material builds on earlier material, hence it is important to keep up and not fall behind - that gets you into all sorts of trouble.
• After the solutions are handed out, be diligent in annotating your Problem Set. For minor errors, show the correction. For major issues, don't copy out my answer from the solution, but rather explain where you think you went wrong and/or what you should have done instead.
• It's worth taking time to think about what a good exam question mightlook like as you prepare for the exam. Working in a group with others can enhance your outcomes!

Equation Sheet
Familiarize yourself with this since you'll be using it on Exams.
Chem312 Equation Sheet (pdf) used in Exams. (Changes may be made. Last updated: 15 Feb 2019)
Problem Set Log
No Problem Sets assigned yet.
Problem Set 1 (pdf) has a Finish By date of Wed, 06 Feb, 10:10am, and a due date of Fri, 08 Feb, 10:10am, in class.
Problem Set 2 (pdf) has a Finish By date of Mon, 18 Feb, 10:10am, and a due date of Wed, 20 Feb, 10:10am, in class.
Mock Question for Exam 1 is due Fri, 22 Feb, 10:10am.
Problem Set 3 (pdf) has a Finish By date of Mon, 18 Mar, 10:10am, and a due date of Wed, 20 Mar, 10:10am, in class.
Problem Set 4 (pdf) has a Finish By date of Fri, 29 Mar, 10:10am, and a due date of Mon, 01 Apr, 10:10am, in class.
Mock Question for Exam 2 is due Wed, 03 Apr, 10:10am.
Problem Set 5 (pdf) has a Finish By date of Mon, 15 Apr, 10:10am, and a due date of Wed, 17 Apr, 10:10am, in class.
Problem Set 6 (pdf) has a Finish By date of Mon, 29 Apr, 10:10am, and a due date of Wed, 01 May, 10:10am, in class.
Mock Question for Exam 3 is due Fri, 03 May, 10:10am.
Problem Set 7 (pdf) has a Finish By date of Mon, 13 May, 10:10am, and a due date of Wed, 15 May, 10:10am, in class.
Syllabus and Worksheets
Here's what I think we'll be covering (subject to change by the instructor at any time).
Blank lines delimit separate weeks.
I recommend downloading the worksheets before each section and bringing them to class!

Section I. Gases: Bridging Microworld and Macroworld
Section I.1: Physical Properties of Gases Worksheets1-4(pdf)
28 Jan    Ideal Gases, Kinetic Molecular Theory of Gases
30 Jan    Deviations from Ideal Gas Law, Critical Phenomena
01 Feb    Two-parameter Equations of State to describe Real Gases

04 Feb    Pairwise intermolecular interactions
Section I.2: Energies of Collections of Molecules (17,18) Worksheets5-11(pdf)
06 Feb    Energies in the Atomic/Molecular World
               Degrees of freedom, molecular motion, level spacings
08 Feb    Energies of Collections of Molecules
               Thermal Energy, Distributions

11 Feb    Derivation of the Boltzmann distribution
13 Feb    Partition Functions and Thermal Energy
15 Feb    Translation partition function

18 Feb    Rotation and vibration partition functions
20 Feb    Rotation and vibration partition functions (ctd)
22 Feb    Exam #1

Section II. Thermodynamics
Section II.1: Energy and the First Law of Thermodynamics Worksheets12-17(pdf)
25 Feb    First Law and Conservation of Energy
27 Feb    Heat, Work and Isothermal Processes
01 Mar    Enthalpy and chemical reactions
               Standard enthalpies of formation

SPRING BREAK

11 Mar    Heat capacity
13 Mar    Adiabatic Processes
15 Mar    Molecular Basis of Thermal Energy: Bond Energies

Section II.2: Entropy and the Second and Third Laws of Thermodynamics Worksheets18-23(pdf)
18 Mar    Second Law and Entropy
20 Mar    Carnot Cycles
22 Mar    Entropy and Spontaneity

25 Mar    Third Law and Zero Temperature
27 Mar    Molecular Basis of Entropy
29 Mar    Trouton's Rule

01 Apr    No class
03 Apr    Exam #2
Section II.3: Free Energy and Chemical Equilibria in Gases Worksheets24-29(pdf)
05 Apr    Free Energy: property, spontaneity
               Relationship of Free Energy and Mechanical Energy

08 Apr    Standard Free energies of Formation
               Free Energy and Pressure
10 Apr    Free Energy and the Equilibrium constant
               Free Energy and Temperature
12 Apr    Equilibria and Distributions

15 Apr    Fugacity and Free Energy of Real Gases
17 Apr    Interrelating Thermodynamic Properties
               Maxwell's Equations

EASTER BREAK

Section II.4: Applications of Thermodynamics Worksheets30-33(pdf)
24 Apr    Ideal Mixtures
26 Apr    Raoult's Law

29 Apr    Chemical Potential and the Gibbs-Duhem relationship
01 May    Entropy and the Arrow of Time
03 May    Exam #3

Section III: Kinetics Worksheets34-38(pdf)
06 May   Rate equations and Rate Laws
08 May   Reaction Rates and Equilibria
               Relaxation Methods
10 May   Reaction Mechanisms

13 May   Unimolecular Gas Phase Reactions
               Molecular Collisions
15 May   Temperature dependence of the rate constant
               Transition State Theory

Final Exam is 11am-1pm on Mon, May 20.

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