Dr. Keith Gubbins
Chemical and Biomolecular Engineering
CHE 713 Thermodynamics I
3 Credit Hours
In-depth coverage of chemical engineering thermodynamics principles. Application of non-ideal fluid-phase chemical potentials to problems in phase equilibria. Introduction to statistical mechanics and molecular simulation methods, and relations of molecular structure and intermolecular forces to macroscopic thermodynamic properties.
An undergraduate engineering thermodynamics course emphasizing first and second laws and related concepts and an undergraduate chemical engineering thermodynamics class emphasizing fugacity and related concepts, mixture phase equilibria and chemical reaction equilibria or consent of instructor.
To present the basic concepts underlying classical chemical engineering thermodynamics in more depth than that found in a typical undergraduate course and to introduce the topics of statistical thermodynamics and molecular simulation methods.
By the end of the course the attendees should be able to perform the following:
- Use the full set of thermodynamic functions for non-ideal gas and liquid systems to carry out thermodynamic calculations, including those for gas-liquid, liquid-liquid and supercritical extraction equilibria.
- Understand binary phase diagrams, including the high pressure regions.
- Understand the probability distribution law and partition function for canonical, microcanonical and grand canonical variables, and how the various thermodynamic functions are related to these. Understand the statistical interpretation of entropy and its significance, and the Second Law of Thermodynamics.
- Be able to carry out thermodynamic calculations for gases and liquids, including complex fluids such as associating liquids, using statistical thermodynamics.
- Understand the basis of molecular simulation, including Molecular Dynamics and Monte Carlo methods.
2 in-term exams 50% (25 each)
Term paper 30%
Weekly problems 20%
Prausnitz et.a.. Molecular Thermodynamics of Fluid-Phase Equilibria, Prentice Hall. ISBN: 0139777458. To order this textbook, go to the NC State Bookstore web site at http://ncsu.collegestoreonline.com/.