CHE 713 Thermodynamics I

In-depth coverage of chemical engineering thermodynamics principles. Application of non-ideal fluid-phase chemical potentials to problems in phase and chemical reaction equilibria. Relations of molecular structure and intermolecular forces to macroscopic thermodynamic properties. 3 credit hours.

 
   
   
Prerequisite
  

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.

 
Course Objectives   To present the basic concepts underlying classic chemical engineering thermodynamics in more depth than that found in a typical undergraduate course and to introduce the topic of statistical thermodynamics.

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 and grand canonical variables, and how the various thermodynamic functions are related to these. Understand the statistical interpretation of entropy and its significance.
  • 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.

 
Course Requirements  

2 in-term exams 50% (25 each)

Term paper 30%

Weekly problems 20%

 
Textbook  

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/.

 
Computer and Internet Requirements  

NCSU has recommended minimum specifications for computers used for classes. Depending on your computer needs, we recommend your computer meet or exceed the following minimum specifications below.

PCs must have an Intel-compatible 1 GHz processor, 512 MB RAM, 60 GB hard drive with 1 GB free space available, 256 Color Display, CD-ROM drive, 1024x768 (min.) video adapter, sound card, and speakers. The operating system should be Windows XP Pro. Real One Player Basic (available free online) and high speed Internet connection such as cable, DSL, T1 or LAN will be required for EOL courses.

MAC users must have a G4 processor with firewire and USB factory built-in, 512 MB RAM, 60 GB with 1GB free space available, 256 Color Display, CD-ROM drive, 1024x768 (min) video adapter, sound card, and speakers. The operating system must be MacOS 10.4 (minimum) along with the above RealOne and Internet specifications above.

For more detailed information on computer specifications and recommendations, please refer to our website at: http://engineeringonline.ncsu.edu/currentstudents/computeraccess.htm

 

Instructor  

Dr. Keith Gubbins, Professor
Department of Chemical and Biomolecular Engineering
Engineering Bldg I (COE I) 2088A, Box 7905
NCSU Campus
Raleigh, NC 27695

Phone: (919) 513-2262
Fax: (919) 515-3465
Email: keg@ncsu.edu
Instructor Website: http://www.che.ncsu.edu/faculty_staff/keg.html and http://chumba.che.ncsu.edu/