Escolar Documentos
Profissional Documentos
Cultura Documentos
Classical Thermodynamics
1) Tosun, İsmail. The thermodynamics of phase and reaction equilibria. Newnes, 2012.
2) Tester J.W. and Modell M., “Thermodynamics and Its Application”, 3rd edition, Prentice Hall
(1996).
3) Prausnitz, J.M., Lichtenthaler, R.N. and Gomes de Azevedo, E., “Molecular Thermodynamics of
Fluid-Phase Equilibria”, 3rd ed., Prentice-Hall, Englewood Cliffs (1999).
4) J.S. Rowlinson and F.L. Swinton, “Liquids and Liquid Mixtures”, 3rd edition, Butterworth
Scientific, London (1982).
5) J.P. O’Connell and J.M. Haile, “Thermodynamics. Fundamentals for Applications”, Cambridge
University Press (2005).
Statistical Thermodynamics
1) K.A. Dill and S. Bromberg, “Molecular Driving Forces. Statistical Thermodynamics in Chemistry
and Biology”, Garland Science, New York (2003).
2) Hill, T.M., “An Introduction to Statistical Thermodynamics”, Addison-Wesley, Reading (1960).
3) McQuarrie, D.A., “Statistical Mechanics”, Harper & Row, New York (1976).
4) Reed, T.M. and Gubbins, K.E., “Applied Statistical Mechanics”, McGraw-Hill, New York (1973)
5) Sandler S.I., Introduction to Applied Statistical Thermodynamics, Wiley, 2011.
6) Rowley R.L., Statistical Mechanics for Thermophysical Property Calculations, Prentice-Hall,
1994.
Molecular Simulation
1) Allen, M.P. and Tildesley, D.J., “Computer Simulation of Liquids”, Clarendon Press, Oxford (1987)
2) Frenkel, D. and Smit, B., “Understanding Molecular Simulation”, second edition, Academic Press,
San Diego (2002)
3) A.R. Leach, “Molecular Modeling: Principles and Applications”, 2nd edition, Prentice Hall, ISBN
0-582-38210-6 (2001)
Grading System:
Assignments (about 8 assignments) 10 %
Mid-term exam 30 %
Two term projects 20 %
Final exam 40 %
Assignments:
Assignments will be given at the end of each two weeks, and are due the following week, on the same
day. Students should work individually on the assignments.
Term projects:
Students must complete two projects during this course. Each term project weights 15 % of the total
mark. The first project can be accomplished individually or in groups. The second project must be
accomplished individually. Each student will get a different project. Each student must submit a
progress report every three weeks (maximum of two pages).
Course Outline:
Review
Basic concepts and definitions
First law of thermodynamics and applications
Second law of thermodynamics and applications
Relations among thermodynamic functions
Equilibrium and stability
Properties for pure fluids
Property relations for mixtures
Phase equilibrium
Introduction to statistical thermodynamics.
Introduction to molecular simulation (if time permits)