Skip to main content

Ctrl+K

Advanced Thermodynamics for Chemical Engineers

Class introduction

Before we get started

Overview
Review of thermodynamics

Statistical Mechanics

Postulates of statistical mechanics
Application of the microcanonical ensemble: two-state system
The canonical ensemble
Generalized ensembles
The ideal gas partition function
Application of independent subsystems: the Langmuir isotherm
The Ising model
Mean-field theory
Fluctuations and thermodynamic response functions

Molecular Simulation

An introduction to molecular simulation
Monte Carlo simulations
Nuances of stochastic sampling in statistical ensembles
Molecular dynamics simulations
Temperature and velocities in MD
Distribution of particles in states of matter
The potential of mean force
Umbrella Sampling
Free energy perturbation and thermodynamic integration

Thermodynamics

Postulates of thermodynamics
Heat engines and possible processes
The Carnot Cycle and the Theorem of Clausius
The fundamental relation of thermodynamics
Legendre transforms
Conditions of equilibrium
Equilibrium in single-component systems
Phase diagrams
Fugacity
Ideal mixtures
Non-ideal mixtures

Appendices

Additional Glossary
Summary of thermodynamic potentials
Derivation of expansion rule
Derivation of Euler integration
Bibliography

Search

Ctrl+K

By Reid van Lehn, Matt Gebbie, Rose K. Cersonsky

© Copyright 2023.