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30 Οκτ 2013 (πριν από 3 χρόνια και 7 μήνες)

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Ch
emistry 544


Introduction to Statistical Mechanics

Syllabus Fall 2013


Instructor:
Zaida (Zan) Luthey
-
Schulten


I.
Review of Classical Thermodynamics, Probability Theory, Classical Mechanics

(Callen,
Notes, McQuarrie)

Make
-
up classes in weeks Sept.2, 9, 23


1.

Max Entropy Postulates

-

Principles of Classical Equilibrium Thermodynamics


2.

Conditions of Equilibrium
, Formal Relationships, Simple Systems (vd Gas, Rubber Band)

3.

Other Thermodynamic Potentials from
Alternate Formul
ations and Legendre Transformations

4.

Stability of Thermodynamic Systems


Response Functions and Simple Phase Transitions

5.

Review

of Probability Theory



Central Limit Theorem
, Probability Densities

6.

Review of Newtonian, Lagrangian, and Hamiltonian equations
of motion, MB distributions



Hour Exam 1



October 2, 2012


II. Principles and Applications of Equilibrium Statistical Mechanics

(
Notes,
McQuarrie, Pathria,
Widom)


7.

Microcanonical Ensembles (E,V,N

)


Counting of States, Density of States

8.

Canonical
Ensembles (T,V,N
)


Partition Functions/Probabilities for Ideal Gases & Solids,
Applications to Chemical Equilibrium, Theory of Fluctuations

9.

Classical Statistica
l Mechanics Formulation, Equipartition and Virial Theorems, Liouville Equation

10.

Grand Canonical
Ensemble, Quantum Statistics and Quantum (FE & BE) Ideal Gases, Density
Matrix

11.

Non
-
ideal gases and virial expansion

12.

Statistical Thermodynamics of Liquids and Biopolymers


Radial Distribution Function and
Potentials of Mean Force
, Debye
-
Hueckel Theory

13.

Numerical Statistical Mechanics Techniques


Monte Carlo and Molecular Dynamics Simulations,
Multiple Histogramming Techniques

14.

Statistical Mechanical Theory of Phase Transitions



Is
ing Model


Hour Exam 2
-

November 22, 2012


III. Introduction to Non
-
Equi
librium Statistical Mechanics
(
Notes,
Chandler, McQuarrie)


15.

Theory of Brownian Motion


Langevin and Fokker Planck Equations
, Fluctuation
-
Dissipation Theorem

16.

Time
-
Correlation Functions

17.

Chemical Master Equation


Reaction
-
Diffusion Master Equations



Recommended Textbooks
: “Thermodynamics” by H. Callen, “Statistical Mechanics” by D.
McQuarrie, “Introduction to Modern Statistical Mechanics” D. Chandler, “Statistical Mechanics”
by R. K. Pathria, “Statistical Mechanics: Concise Introduction for Chemists
” by B. Widom


Weekly HW: Solutions, Notes
Handouts on class website