Statistical Thermodynamics: Molecules to Machines
Venkat Viswanathan
May 5, 2015
Module 5: Ising model
Learning Objectives:
Introduce the Ising model for magnetic systems.
Exactly solve the Ising model in 1 dimension.
Give the mean-field approximation
Statistical Thermodynamics: Molecules to Machines
Venkat Viswanathan
May 5, 2015
Module 4: Electrons, Phonons and Photons
Learning Objectives:
Analyze the statistical thermodynamics of Bose and Fermi particles
Demonstrate consistency with our analysis f
Statistical Thermodynamics: Molecules to Machines
Venkat Viswanathan
May 5, 2015
Module 4: Non-interacting systems: twolevel systems and ideal gases
Learning Objectives:
Discuss the statistical mechanics of non-interacting particles/molecules
Introduce
Instructions
Welcome to GAMMAFIT.XLS
There are five worksheets to help in fitting activity coefficient.
The worksheets use the Margules equation, but can easily be reprogrammed for other models.
P-x-y fit P
Use this worksheet to fit P-x-y data or prepare
ver 1.101
7/2/2014 If a compound appears multiple times, the latent heat properties are entered in the first listing.
r298
ID
Compound
Tc(K) Pc(MPa)
w
MW
CpIg/R d(J/cc) a(J/cc)
Abbr
Data for Gases. Cp and Hf and Gf are for ideal gases at 298.15K and 1 bar
Instructions
PrMix.xlsx
This workbook computes mixture fugacities using the Peng-Robinson Equation.
This workbook is related to PREOS.xls and works in a similar fashion.
It has been adapted from the PRFUG.xls of http:/chethermo.net/software
It simply adds
Statistical Thermodynamics: Molecules to Machines
Venkat Viswanathan
April 23, 2015
Module 1: Classical and Quantum Mechanics
Learning Objectives:
The formulation of classical mechanics in the Lagrangian form as a
preliminary setup for quantum mechanics
This table summarizes group names and provides examples of group assignments.
H. K. Hansen, P. Rasmussen, A. Fredenslund, M. Schiller, and J Gmehling (1991) Ind. Eng. Chem. Res. 30, 2352-2355.
R. Wittig, J. Lohmann, and J. Gmehling (2003) Ind. Eng. Chem.
Instructions
Ka Calculator
This spreadsheet calculates equilibrium constants at standard state given
reaction stoichiometry and heat capacities.
Be sure to balance the chemical reaction and enter negative stoichiometric
numbers for reactants and positive
Ideal Chemical Theory True Mole Fraction Calculator
This workbook provides calculation of true mole fractions from Ideal Chemical Theory.
There is a separate sheet for gas phase and liquid phase, because the gas phase
calculation must incorporate P.
Direc