Chemical Engineering 240
Classical Thermodynamics and Statistical Mechanics
Spring 2007

Announcements:

A final exam review will be held on May 10, from 4-6pm in room 775A Tan Hall.

The final exam will be held May 17 from 8-11 am in Room 433 Latimer

Instructor
Nitash Balsara
Email: nbalsara (at) berkeley.edu
OH: Tues 3-4, Wed 1-2
OH Location: 201C Gilman Hall

Grad Student Instructor
Paul Albertus
Email: albertus (at) berkeley.edu
OH: Tues 4-5, Wed 2.30-3.30
OH Location: 855 Latimer

View the Course Syllabus and Summary

Tenative lecture outline for the remainder of the course.

Various course policies:

- No late homework will be accepted. If you have something come up you should email me.

- Working together and talking through the problems is fine but direct copying is not. There are less than twenty students in the course and I read through all the work so if you're turning in work that has been copied I will notice. This also applies to the computer programming: discussing how to write a program, and program results, is fine but turning in identical code is not.

- In order to reduce the amount of paper used in the course, I encourage you to write on both sides of papers you turn in to me (homeworks and exams), or to write on one-side-clean paper. Of course whether you do so will have nothing to do with your grade.

Programming Information:

We will be doing some statistical mechanics simulations using Matlab this semester. You have two options for getting access to Matlab. One option is to purchase it from the Scholar's Workstation for around $100. The other option is to use Matlab in the Chemistry Microcomputer facility, which is located in 106 Latimer hall. The hours for the ChMCF are available here. There is free printing for homework problems at the ChMCF. I have sent the user name and password you need by email.

Handout with a tentative programming outline
Handout with useful Matlab functions v2

Note: I will post a working version of the code for each assignment under the "Homeworks" section.

Homeworks

In general homeworks will be assigned on and due on Thursdays.

Homework 1
Homework 1 Solution

Homework 2
Homework 2 Solution

Homework 3
Homework 3 Solution

Homework 4
Homework 4 Solutions
Matlab function corr.m To run this file type "corr(N,Mmax)", N=length of rand # vector, Mmax =max M value

Homework5
Homework 5 Solutions
An M-file for highT (lattice size, # time steps)

Homework 6
Homework 6 Solutions
M-file for interface (lattice size, # time steps)
M-file for periodic boundary conditions (array position, lattice size)
Ask me if you have questions about how these work.

Homework 7
Homework 7 Solutions
Here are the M-files for the program this week:
Regular solution code, code to compute AA or BB contacts, code for AB contacts

Homework 8
Homework 8 Solutions

Homework 9
Homework 9 Solutions
Here is a working Ising model code. Feel free to use this for the programming problem in HW 10. Note that it includes a visualization tool that can be shut off (or inserted into your code!)

Homework 10
Homework 10 Solution

Homework 11
Homework 11 Solutions
Ising model code with magnetic field

Homework12
LJ MD executable file needed for homework
Homework 12 Solutions

Exams

Midterm 1 Exam Review Sheet
Midterm 1: February 20

Midterm 2 Exam Topics
Midterm 2 Review Sheet (version 1)
Midterm 2: April 10

Final Exam Topics
Final Exam Review Sheet
The final exam is May 17 from 8-11 am in room 433 Latimer

 

Class Handouts and Links

Slides from lecture on entropy in concentrated systems.

History of the solid state from lecture on 3/15.

Handout on Maxwell construction clarifying questions from lecture on 2/1.

Here's a link to a video of an artificial muscle.

Following are a few links to good Ising model simulations available on the web:

Ising Simulation One
Ising Simulation Two


Nobel Prize lecture given by van der Waals

A sheet summarizing equations for various ensembles

The MIT OCW grad thermo site.