Readings

Buy at Amazon Chapter readings in the table are from the course text, Tester, J. W., and Modell, Michael. Thermodynamics and Its Applications. Upper Saddle River, NJ: Prentice Hall PTR, 1996. ISBN: 9780139153563.

A bibliography of supplementary readings is included below the table.

SES # TOPICS READINGS
Part I - Fundamental Principles
1 Course Outline; Motivation to Connect Classical Concepts and Laws to Physical Properties from Macroscopic to Molecular; Definitions; Nomenclature; Exams Plus Homework Policy; Approach to Solving Problems; Constitutive Property Models and the Ideal Gas State; Postulatory Approach; 1st Law Concepts Handouts
2 Postulatory Approach
1st Law Concepts (Work, Heat, and Energy); Closed and Open System Treatments, Including PE Plus KE Effects; Tank Blowdown [Demo - CO2 Fire Extinguisher]
1 (all sections), 2 (all sections), 3.1-3.8
3 1st Law Open Systems; Tank Blowdown and Filling - Class Examples; Problem 3.9 3.7-3.9
4 2nd Law Concepts; Reversible Heat Engines; Carnot Efficiency; Entropy; Clausius Theorem; Reversibility [Demo - Drinking Bird] 4.1-4.5
5 Entropy Balance; 1st and 2nd Laws Combined [Demo - Hilsch Vortex Tube] 4.6-4.7
6 2nd Law Concepts and Applications; Steady State and Transient Flow Work 4.8-4.9
7 Availability and Exergy Concepts; Heat Integration and Pinch Analysis; Power Cycle Analysis [Demo - Stirling Engine] 14.1-14.3, 14.5-14.6
8 Calculus of Thermodynamics; Gibbs Fundamental Equation; Graphical Interpretation of Fundamental Surface 5.1-5.4

Thermodynamic Properties of Pure Materials (PDF)
9 Derivative Transformation and Manipulation; Maxwell Relations; Jacobian Transformations 5.1-5.4
10 Legendre Transformations; Equivalent Forms of the Fundamental Equation; Examples 5.5-5.7
11 Legendre Transforms Continued; Connections to the Gibbs Surface and Other Derived Properties 5.5-5.7
12 Equilibrium Criteria Concepts and Applications - Phase, Chemical, and Membrane; Phase Rule; Examples of Simple Phase Diagrams 6.1-6.7
13 Stability Criteria, Concepts and Applications; Critical States 7.1-7.2
14 Pure Component Properties; Fundundamental Equation; Theorem of Corresponding States; Constitutive Property Models - Stress Connections to Molecular Level Interactions and Effects 8.1-8.2
15 Real Fluid Properties; PVTN Equations of State; Ideal Gas Heat Capacity Cp* 8.3-8.4
16 Departure Functions; Concepts and Applications; Standard Δ and Δ of Formation 8.5, 8.7-8.9
17 Mixtures; PVTN EOSs; Partial Molar Properties; Gibbs-Duhem Relation; Mixing Functions; Discuss Problem 9.2; Ideal Gas Mixtures and Ideal Solutions; Fugacity and Fugacity Coefficients; Standard States 9.1-9.7
18 Ideal Solution Conditions; Excess Properties; Activity and Activity Coefficients; ΔGEX-γi Models (See Table 11.1); Standard States; Thermodynamic Consistency using the Gibbs-Duhem Relation 9.8, 11.2, 11.4, 11.7, 11.9
19 Mixture Equations of State, Continued and Needs 11.7, 11.9
20 Review for Exam 1  
  Exam I: 2 hours  
Part II - Introduction to Statistical Mechanics for the Interpretation of Thermodynamic Functions and the Computation of Thermodynamic Properties
21 Fundamental Principles of Quantum and Classical Statistical Mechanics - N-body Problem; Phase Space; Statistics and Distribution Functions and Averaging Methods; Boltzmann Distribution 10.1, handouts

Fundamental Principles of Quantum and Classical Statistical Mechanics (PDF)
22 Postulates of Statistical Mechanics; Gibbs Ensembles - Micro-canonical and Canonical; States of System; Probabilities 10.1, handouts

Postulates of Statistical Mechanics, Gibbs Ensembles (PDF)
23 Computation of Ideal Gas Properties from Intramolecular Effects - Translation, Rotation, Vibration using Statistical Mechanics I 10.1, handouts

Computation of the Properties of Ideal Gases (PDF)
24 Computation of Ideal Gas Properties from Intramolecular Effects - Translation, Rotation, Vibration using Statistical Mechanics II 10.1, handouts

Computation of the Properties of Ideal Gases (PDF)

Appendix to Session 21-24 Statistical Mechanics Readings: Connection to Thermodynamics and Derivation of Boltzmann Distribution (PDF)
25 Classical Statistical Mechanics; Hamiltonian and Ideal Gases; Factoring the Partition Function with the Semi-classical Approximation; PVTN Properties via Configuration Integral from Intermolecular Effects; Grand Canonical Ensemble I 10.1, handouts
26 Semi-classical Approximation; PVTN Properties via Configuration Integral from Intermolecular Effects; Grand Canonical Ensemble II - Examples 10.1, handouts
27 Gibbs Ensembles Continued: Micro-canonical Ensemble Revisited, Grand Canonical, NPT, etc., Including Equivalence of Ensembles; Time Averaging and Ergodicity, and Fluctuations; Macroscopic Connection 10.1, handouts
28 Intermolecular Forces and Potentials; Role of Quantum Mechanics; Commonly used Potential Functions; Pairwise Additivity 10.2-10.3
29 Virial Equation of State and Molecular Corresponding States from Statistical Mechanics; Connection of PVTN Equations of State to Statistical Mechanics and Molecular Simulations 10.4-10.6
30 Mean Field Theory; Connecting the van der Waals EOS Model to Statistical Mechanics; Hard Sphere Fluids; Perturbed Hard Sphere Fluids; Lattice Models 10.6, 10.8
31 Statistical Mechanical Models of Fluids I - Expanding the Virial EOS to Mixtures; Radial Distribution Functions; Structure of Fluid and Solid Phases; Critical Phenomena (Fluctuations, Critical Opalescence) 10.7
32 Statistical Mechanical Models of Fluids II - Biological Materials and Protein Applications 10.7
33 Foundations of Molecular Simulations - Monte Carlo and Molecular Dynamics 10.9
34 Application of Molecular Simulations to Estimating Pure Component and Mixture Properties 10.9
Part III - Multi-scale Thermodynamics of Pure Fluids and Mixtures - Physical Properties and Phase and Chemical Equilibria
35 Calculation of Pure Component Properties (Vapor Pressure, Δ Hvap, … etc.) Using Equation of State and Other Models - Departure Functions 8.5, 8.7, 8.9
36 Review of Mixture Thermodynamics; Fugacity; Fugacity Coefficient; Activity; Activity Coefficient; Standard States and Constitutive Models for Capturing Non-Ideal Effects 9.1-9.8
37 Phase Equilibrium and Stability - Gibbs Phase Rule; Phase Diagrams; Using Constitutive Property Models for Capturing Non-Ideal Effects 15.1-15.2, 15.8
38 Applications of Mixture Thermodynamics to VLE Phase Equilibria; Minimum Work of Separation, etc. 9.7-9.9, 11.4, 11.7, 11.9
39-40 Review for Exam II

Review of Statistical Mechanics Principles and Applications, and Pure Fluid and Mixture Properties
 
  Exam II: 2 hours  
41 Phase Equilibria; Differential Approach; Constitutive Property Models Continued; P-T Relationships 15.3-15.4, 11.1-11.7
42 Phase Equilibria; Integral Approach; Applications; Solubility - Gas - Liquid, Liquid - Liquid, and Solid - Liquid Systems 15.5
43 Phase Equilibria Applications - Examples Colligative Properties; Ternary Diagrams; S-L-V Three Phase Monovariant Binary Equilibria; Biological Examples  
44 Phase Stability Applications; Spinodal Decomposition; Critical Points; Uses of Equations of State and Gibbs Free Energy Models; Polymer and Materials Examples; Pictures of Crystalization 7.1-7.2, 15.6-15.7
45 Chemical Equilibrium - General Approach; Nonstoichiometric and Stoichiometric Formulation; Statistical Mechanical Approach 16.1-16.4, 16.9
46 Equilibrium Constants and Standard States; Gibbs Phase Rule Applications 16.5-16.6
47 Chemical Equilibria Applications and Example Problems; Combined Phase and Chemical Equilbria 17.1-17.3
48 Review Session  
  Final Exam: 3 hours  

Supplementary References*

Classical Thermodynamics

Buy at Amazon Bejan, Adrian. Advanced Engineering Thermodynamics. New York: Wiley, 1988. ISBN: 9780471830436. [Graduate Level, mechanical engineering emphasis, generalized exergy/availability analysis].*

Buy at Amazon Bett, K. E., Rowlinson, J. S., and Saville, G. Thermodynamics for Chemical Engineers. Cambridge, MA: The MIT Press, 1975. ISBN: 9780262523981. [General text from a Chemical Engineering perspective].

Callen, Herbert B. Thermodynamics: An Introduction to the Physical Theories of Equilibrium Thermostatistics and Irreversible Thermodynamics. New York: Wiley, 1960. Reprint available: Temecula, CA: Textbook Publishers, 2003. ISBN: 0758103360. [Physics approach, recommended section on Legendre transformations].*

Buy at Amazon Denbigh, Kenneth. Principles of Chemical Equilibrium. 4th ed. London: Cambridge University Press, 1981. ISBN: 9780521281508. [Well-written, alternative intermediate text from a Chemistry perspective].*

Gibbs, J. W. The Collected Works of J. Willard Gibbs, I: Thermodynamics. Edited by W. R. Logley and R. G. Van Name. New York: Longmans, Green, and Company, 1928. [Historical reference].*

Buy at Amazon Gyftopoulos, Elias P. and Beretta, Gian Paolo. Thermodynamics: Foundations and Applications. Mineola, NY: Dover, 2005. ISBN: 9780486439327. [Comprehensive mechanical engineering approach, power cycles, availability/exergy analysis].

Buy at Amazon Hatsopoulous, George N. and Keenan, Joseph H. Principles of General Thermodynamics. New York: Wiley, 1964. Replrint available: Melbourne, FL: Krieger, 1982. ISBN: 9780898743036. [Detailed theoretical, postulatory approach].

Hougen, O. A. and Watson, K. M. Chemical Process Principles, I: Thermodynamics. 2nd ed. Wiley, 1959. [Corresponding-states principle, a classic Chemical Engineering Thermodynamics text].

Buy at Amazon Keenan, Joseph H. et al . "International System of Units." In Steam Tables: Thermodynamic Properties of Water Including Vapor, Liquid, and Solid Phases. New York: Wiley, 1969. Reprint available: Melbourne, FL: Krieger, 1992. ISBN: 9780894646850.[Good reference].

Buy at Amazon Pitzer, Kenneth S. Thermodynamics. 3rd ed. New York: McGraw-Hill, 1995. ISBN: 9780070502215. [Well-written, revision of classic 1923 text by G.N. Lewis and M. Randall, treats electrolytes].

Buy at Amazon Milora, Stanley L. and Tester, Jefferson W. Geothermal Energy as a Source of Electric Power: Thermodynamics and Economic Design Criteria. Cambridge, MA: The MIT Press, 1976. ISBN: 9780262131230. [Thermodynamic treatment of low-temperature power cycles].

Buy at Amazon Prausnitz, John M., de Azevedo, Edmundo Gomez, and Lichtenthaler, Rudiger N. Molecular Thermodynamics of Fluid-Phase Equilibria. 3rd ed. East Rutherford, NJ: Prentice-Hall, 1998. ISBN: 9780139777455. [Intermolecular forces, bridges the gap between Classical and Statistical Thermodynamics, presents many practical models for non-ideal behavior].

Prigogine, Ilya and Defay, Raymond. Chemical Thermodynamics. London: Longmans, 1954. ISBN: 0598248242. [Detailed, theoretical, good on mixtures and phase equilibria].

Buy at Amazon Reid, Robert C., Prausnitz, John M., and Poling, Bruce E. The Properties of Gases and Liquids. 4th ed. New York: McGraw-Hill, 1987. ISBN: 9780070517998. [Essential for estimating thermodynamic properties].

Buy at Amazon Sandler, Stanley I. Chemical and Engineering Thermodynamics. New York: Wiley, 1998. ISBN: 9780471182108.[Introductory, well-organized].

Buy at Amazon Smith, J. M. (ed.), van Ness, H. C., and Abbott, M. Introduction to Chemical Engineering Thermodynamics. 5th ed. New York: McGraw-Hill, 1996. ISBN: 9780070592391. [Introductory, classic chemical engineering undergrad text, well-organized].

Buy at Amazon Tisza, Laszlo. Generalized Thermodynamics. Cambridge, MA: The MIT Press, 1966. ISBN: 9780262200103. [Theoretical, detailed discussion of Legendre transformations].

Buy at Amazon Walas, Stanley M. Phase Equilibria in Chemical Engineering. New York: Buttersworth, 1985. ISBN: 9780750693134. [Excellent, practical treatment of VLE and LLE].

Weber, Harold C. Thermodynamics for Chemical Engineers. 2nd ed. New York: Wiley, 1957. [Well-written, introductory text].

Statistical Mechanics

Buy at Amazon Chandler, David G. Introduction to Modern Statistical Mechanics. New York: Oxford University Press: 1987. ISBN: 9780195042771. [Concepts and modern theory, particularly helpful for phase transitions.]

Callen, Herbert B. Thermodynamics: An Introduction to the Physical Theories of Equilibrium Thermostatistics and Irreversible Thermodynamics. New York: Wiley, 1960. Reprint available: Temecula, CA: Textbook Publishers, 2003. ISBN: 0758103360. [Critical-point scaling theories.]

Buy at Amazon Debenedetti, Pablo G. Metastable Liquids: Concepts and Principles. Princeton, NJ: Princeton University Press, 1996. ISBN: 9780691085951. [Modern treatment of experimental data and theories regarding stability and criticality.]

Buy at Amazon Hill, Terrell L. Statistical Mechanics: Principles and Selected Applications. Mineola, NY: Dover, 1987. ISBN: 9780486653907. [Advanced text covering basic aspects of liquid state theory.]

Hirschfelder, Joseph L., Bird, R. Byron, and Curtiss, Charles F. Molecular Theory of Gases and Liquids. New York: Wiley, 1964. ISBN: 0471400653. Reprint available: Textbook Publishers, 2003. ISBN: 075810443X. [Excellent comprehensive treatment of theory and early work.]

Buy at Amazon Huang, Kerson. Statistical Mechanics. New York: Wiley, 1987. ISBN: 9780471815181. [Advanced text with extensive discussion of Ising models.]

Buy at Amazon McQuarrie, Donald A. Statistical Mechanics. New York: Harper and Row, 1973. ISBN: 9780060443658. Buy at Amazon Reprint available: Sausalito, CA: University Science Books, 2000. ISBN: 9781891389153. [Good detailed treatment of classical statistical mechanics.]*

Buy at Amazon Pathria, R. K. Statistical Mechanics. 2nd ed. San Diego, CA: Elsevier Science and Technology Books, 1996. ISBN: 9780750624695. [Intermediate text, with a thorough coverage of phase transitions and condensed matter theory.]

Buy at Amazon Reed, T. M. and Gubbins, K. E. Applied Statistical Mechanics. New York: McGraw-Hill, 1973. ISBN: 9780070514959. Reprint available: San Diego, CA: Elsevier Science and Technology Books, 1991. Buy at Amazon ISBN: 9780750691369. [Intermediate level text with a solid treatment of intermolecular potentials and some liquid state theory.]

Buy at Amazon Reif, Frederick. Fundamentals of Statistical and Thermal Physics. New York: McGraw-Hill, 1965. ISBN: 9780070518001. [Introductory text with clear explanations of basic concepts of statistical mechanics, motivated from probability theory.]

Buy at Amazon Rowley, Richard L. Statistical Mechanics for Thermophysical Property Calculations. Upper Saddle River, NJ: Prentice-Hall, 1994. ISBN: 9780130308184. [Clear basic treatment, including simulation methods, written by a Chemical Engineer.]

Stanley, H. Eugene. Introduction to Phase Transitions and Critical Phenomena. Oxford: Oxford University Press, 1971. ISBN: 01995014588. [A classic text in its field, with clear discussions of scaling relations and critical exponents.]

Buy at Amazon Yeomans, J. M. Statistical Mechanics of Phase Transitions. Oxford: Oxford University Press, 1992. ISBN: 9780198517306. [An introductory text, simpler than Stanley, with discussions of a number of techniques commonly used in studying the behavior of many-body systems.]

Molecular Simulations

Buy at Amazon Allen, M. P. and Tildesley, D. J. Computer Simulation of Liquids. Oxford: Oxford University Press, 1988. ISBN: 9780198553755. Reprint available: Oxford: Oxford University Press, 1989. ISBN: 0198556454. [Classic treatment.]

Buy at Amazon Frenkel, Daan and Smit, Berend. Understanding Molecular Simulation. San Diego, CA: Elsevier Science and Technology Books, 1996. ISBN: 9780122673702. Reprint available: San Diego, CA: Elsevier Science and Technology Books, 2001. Buy at Amazon ISBN: 9780122673511. [Good overview with more recent advances than Allen and Tildesley.]

*Starred references are of particular value in supplementing text readings.