1. J. M. Prausnitz, R. N. Lichtenthaler, and E. G. de Azevedo, Molecular Thermodynamics of Fluid-Phase Equilibria, 3rd edition (Prentice Hall, Upper Saddle River, N.J, 1998).

2. D. A. McQuarrie, Statistical Mechanics, 1st edition (University Science Books, Sausalito, Calif, 2000).

In this course, students will,

1. apply the first and second laws of thermodynamics to evaluate heat and work interactions in simple devices.

2. derive thermodynamic properties of interest in fluid-phase equilibria from volumetric data.

3. apply statistical mechanics to understand chemical equilibrium, phase transition, etc.

4. gain fundamental understanding of electronic structure and dynamic simulations and hand-on experience on free-energy calculations of simple biological systems.

Weak 1 Review of Basic Thermodynamics (1st and 2nd Laws)

Week 2 Classical Thermodynamics of Phase Equilibrium

Week 3 Thermodynamic Properties from Volumetric Data

Week 4 Intermolecular Forces

Week 5 Fugacity of Gas Mixtures

Week 6 Fugacity of Liquid Mixtures

Week 7 Introduction to Statistical Mechanics

Week 8 The Canonical Ensemble

Week 9 Other Ensembles and Fluctuations

Week 10 Chemical Equilibrium from Molecular Parameters

Week 11 Phase Transition: The Ising Model

Week 12 Introduction to Density Functional Theory and Molecular Dynamics

Week 13 Review