CH7004

Advanced Chemical Engineering Thermodynamics

AUG 2015
Time: Tue. 2:30-5:30PM
Subject: Overview of thermodynamics with emphasis on phase equilibria,
statistical thermodynamics, and molecular principles
Prerequisites: Undergraduate Engineering Thermodynamics/ Chemical
Engineering Thermodynamics or equivalent
Instructor: Lee Jong Min
N1.2-B1-21
6513-8129
jmlee@ntu.edu.sg
* Office hours: to be announced and/or by appointment
Main Text: The Principles of Chemical Equilibrium (4th Ed.)
by Kenneth Denbigh
Supplementary Text:
1. Molecular Thermodynamics of Fluid Phase Equilibria (3rd Ed.) by
John M. Prausnitz and et al.
2. Thermodynamics and an introduction to thermostatistics (2nd Ed.) by
Herbert B. Callen
3. Thermodynamics and its Applications by Michael Modell and Robert
C. Reid
4. Statistical Mechanics by Donald A. McQuarrie
5. Statistical Mechanics for Thermophysical Property Calculation by
Richard L. Rowley
6. Statistical Physics (3rd Ed.) by L.D. Landau and E.M. Lifshitz
Assessment: Each students grade will be based on performance in weekly
assignments, exams, and/or quizzes according to the following
criteria: CA: 50% and Final Exam: 50%

Half credit will be deducted for each day to late assignments

Extra points will be used sparingly on assignments depending on
difficulty and individual effort.

Course Contents
1.

Introduction
Brief introduction of course contents of graduate thermodynamics including
statistical mechanics and molecular simulation and review of undergraduate
thermodynamics on 0th, 1st, 2nd, and 3rd law.

2.

Basic Concepts
Reconfiguring fundamental properties involving thermodynamics potentials
and their derivatives. Connection to microscopic properties (i.e. entropy) via
molecular interpretation based on statistical mechanics. Energy minimum
principle. Maxwells demon, Szilards engine. Application of Legendre
transform to thermodynamics properties.

3.

Properties of Thermodynamic Potentials

Relationships of enthalpy and, Helmholtz and Gibbs free energies with
equilibrated systems. Euler equation. Construction of Massieu potentials.
Jacobian transformation. Partial molar properties. Introduction of GibbsDuhem and Gibbs-Helmholtz relations.

4.

Thermodynamic Models
Construction of ideal gas, ideal gas mixtures, fugacity, and Chemical Potential.
Perturbation to imperfect gases via introducing virial equation of state.
Molecular interpretation of virial coefficients. van der Waals equation of
states in terms of phase equilibria and modeling related to fugacity
coefficients. Joul-Thomson effects.

5.

Phase Equilibria
Gibbs phase rule construction with Duhems theorem. Overview of phase
diagrams. Thermodynamics integrations. Construction and application of
Clapeyron and Clausius-Clapeyron equations. Troutons rule. Revisiting van
der Waals equation of state introducing continuity of vapor and liquid states.
Maxwell equal-area construction. Equilibrium stability in terms of Helmholtz
and Gibbs free energies.

6.

General Properties of Solutions and Miscibility

Dealing with ideal and non-ideal solutions. Partial molar properties with
Gibbs-Duhem equation. Origins of Raoult and Henrys laws via dynamic
description of phase equilibria. Phase equilibria between solution and solid.
Lewis rule. Osmotic pressure. Solubility. Excess thermodynamic properties.
Activity and activity coefficients. Consistency check of experimental data and
data reduction via Gibbs-Duhem equation. Empirical and semiempirical
formula for excess Gibbs free energy Margules, van Laar, Wilson, T-KWilson, NRTL, UNIQUAC, Scatchard-Hilderbrand in terms of molecular
interaction aspects and phase equilibria. Gibbs energy of mixing. Temperature
effects. Effects of molecular interactions towards immiscibility.

7.

Seminar series related to current issues in thermodynamics

Expected a power point presentation on ones research topic related to
thermodynamics.