Advanced Thermodynamics - ChE 5144

Thu, 2015-07-23 04:31 -- xingroup
Textbooks: 

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).

Objective: 

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.

 

Schedule: 

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