ENGR665

Thermodynamics of Chemical Systems; Spring, 2007

I. Course Objectives:

At the end of the semester, students are expected to

* apply the theory of the first and second law of thermodynamics to engineering applications,

* estimate the thermodynamic properties, including enthalpies, entropies, Gibbs energy, fugacity coefficients and activity coefficients of individual components in a multicomponent gas/liquid mixture, and, therefore the equilibrium composition of the mixture,

* understand the specific contributions of molecular theory and quantum mechanics on the estimation of fugacity coefficients and activity coefficients.
 

II. Instructor:

Professor Wei-Yin Chen
Office:  Room 140, Anderson Hall
Telephone:  915-5651
Fax:  915-7023
e-mail: cmchengs@olemiss.edu
Classes:  Room 231, Anderson Hall, 1:00-2:15 pm, Tuesdays and Thursdays
Office Hours: 2:30-5:30 pm, Mondays, Wednesdays, and Fridays, or by appointments
 

III. Textbooks:
 

• Smith, J.M., and H.C. Van Ness, "Introduction to Chemical Engineering Thermodynamics," 6^th ed., McGraw-Hill, New York (2001).
• Chen, W.Y., "Supplementary Volume, Chemical Engineering Thermodynamics," University of Mississippi, 2004.
• Prausnitz, J.M., R.N. Lichtenthaler, and E.G. de Azevedo, "Molecular Thermodynamics of Fluid-Phase Equilibria," 3nd Edition, Prentice-Hall, Englewood Cliffs, New Jersey (1999) - major texbook.

 

IV. References:

Properties

• Poling, B.E., J.M. Prausnitz, and J.P. O'Connell, "The Properties of Gases and Liquids," 5th Edition, McGraw-Hill, New York (2000).


Phase Equilibria

• Orbey, H. and S.I. Sandler, "Modeling Vapor-Liquid Equilibria: Cubic Equations of State and Their Mixing Rules," Cambridge University Press, Cambridge, United Kingdom (1998).
• Sandler, S.I., "Models for Thermodynamic and Phase Equilibria calculations," Marcel Dekker, New York (1994).
• Walas, S.M., "Phase Equilibria in Chemical Engineering," Butterworth-Heinmann, Boston, MA (1985).
• Sengers, J.V., R.F. Kayser, C.J. Peters, and H.J. White, Jr., Editors, "Equations of State for Fluids and Fluid Mixtures," Part I and Part II, Elsevier, Amsterdam, The Netherlands (2000).


Thermodynamics Textbooks

• Tester, J.W., and M. Modell, "Thermodynamics and Its Applications," 3rd edition, Prentice Hall, New Jersey (1996).
• Sandler, S., "Chemical Engineering Thermodynamics," 3rd edition, Wiley, New York (1999).
• Elliott, J.R., and C.T. Lira, "Introductory Chemical Engineering Thermodynamics," Prentice Hall, Englewood

        Cliffs, New Jersey (1999).
• Winnick, J., "Chemical Engineering Thermodynamics," Wiley, New York (1997).
• Denbigh, K., "The Principles of Chemical Equilibrium," 4th Edition, Cambridge University Press, London, England (1981).


Molecular Theory

• Hirschfelder, J.O., C.F. Curtiss, and R.B. Bird, "Molecular Theory of Gases and Liquids," Wiley, New York (1954).
• Chakraborty, A., "Molecular Modeling and Theory in Chemical Engineering," Academic Press, San Diego (2001).


Statistical Thermodynamics

• Sonntag, R.E., and G.J. van Wylen, "Fundamentals of Statistical Thermodynamics," Wiley, New York, 1966; reprinted by Krieger, Melbourne, Florida (1985).
• Rowley, R.L., "Statistical Mechanics for Therophysical Property Calculations," Prentice-Hall, New Jersey (1994).
• Hill, T.L., "An Introduction to Statistical Thermodynamics," Addison-Wesley, Reading, Massachusetts (1960).
• Reed, T.M., and K.E. Gubbins, "Applied Statistical Mechanics," McGraw-Hill, New York (1973); Reprinted by Butterworth-Heinemann, Stoneham, Massachusetts (1991).
• McQuarrie, D.A., "Statistical Thermodynamics," University Science Books, Mill Valley, California (1973).
• Lucas, K., "Applied Statistical Thermodynamics," Springer-Verlag, Berlin (1991).
• Hecht, C.E., "Statistical Thermodynamics and Kinetic Theory," W.H. Freeman, New York (1990).

 
V. Exams/Tests/Homewoks: There will be one midterm exam, and one final exam. Homework will also be assigned every week, and the exam problems will be in similar nature of, but not be verbatim from, the homework assignments.
 

VI. Grading:

Homework 200 points
Midterm 200 points
Final Examination 200 points
______________________________________________
Total 600 points

Total grade will be given according to a scale similar to the following:
600 < A < 480
479 < B < 420
419 < C < 360
359 < D < 300
299 < F

Depending on examination difficulty, this scale may be relaxed.
 

VII. Tentative Course Schedule:
 

Number  of Week	Week of	Topics	Reading Assignments
1	January 14	First and second law of thermodynamics  Heat effects,  Estimation of enthalpies and entropies  Mathcad programs ICPH, IDCPH, ICPS and IDCPS	Chapters 3, 4 and 5 of SVA
2	January 21	Property relations - single component systems  Residual properties  Estimation of properties, work/energy relations  Property relations - multi-component systems  Fugacity and chemical potential  Ideal and nonideal solutions  Excess properties	Chapters 6 and 10 of SVA
3	January 28	VLE phase diagrams  Constructions of models for excess Gibbs energy and phase diagrams  Role of the Gibbs-Duhem equation  Baker's method  Dewpoint and bubblepoint calculations  Flash calculations	Chapters 11 and 12 of SVA
4	February 4	Cubic quation of state  Chemical equilibrium	Chapters 13 and 15 of SVA
5	February 11	Introduction to molecular thermo	Chapter 1 of PLD
6	February 18	Fundamental equations of phase equilibrium	Chapter 2 of PLD
7	February 25	Properties based on volumetric data	Chapter 3 of PLD
8	March 4	Intermolecular forces & Midterm	Chapter 4 of PLD
9	March 11	Spring break!
10	March 18	Intermolecular forces	Chapter 4 of PLD
11	March 25	Estimation of fugacities in gas mixtures	Chapter 5 of PLD
12	April 1	Estimation of fugacities in gas mixtures	Chapter 5 of PLD
13	April 8	Excess functions	Chapter 6 of PLD
14	April 15	Excess functions	Chapter 6 of PLD
15	April 22	Theory of solutions	Chapter 7 of PLD
16	April 29	Theory of solutions	Chapter 7 of PLD
17	May 6	Final Exan

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This page last updated 1/12/2007 by WYC