Advanced Thermodynamics - ChE 5144

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

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