Molecular-Based Equations of State at the Graduate Level


  • Coray M. Colina North Carolina State University
  • Claudio G. Olivera-Fuentes North Carolina State University
  • Keith E. Gubbins North Carolina State University


Graduate students should be exposed to molecular-based equations of state (EOS), in addition to commonly used empirical equations. We present a project for a graduate thermodynamics course where students are asked to determine the vapor-liquid equilibria, including the critical point, of a pure substance using three different EOS: (a) cubic, (b) multiparametric, and (c) molecular-based. Students are prompted to use the Internet, and to develop a code for the molecular-based EOS. 

Author Biographies

Coray M. Colina, North Carolina State University

Coray M. Colina is currently a postdoctoral research associate in the Department of Chemistry at the University of North Carolina at Chapel Hill. She obtained her Ph.D. at North Carolina State University (2004) and her B.S. (1993) and M.S. (1994) at Simon Bolf var University, where she has been a faculty member. She will join the Department of Materials Science and Engineering at Pennsylvania State University as associate professor in July 2006.

Claudio G. Olivera-Fuentes, North Carolina State University

Claudio G. Olivera-Fuentes is a professor in the Department of Thermodynamics and Transport Phenomena and coordinator (dean) of chemical engineering at Simon Bo/Ivar University, Caracas, Venezuela. He received the University Award for Outstanding Teaching by a Full Professor in 1998 and 2000, and the Procter & Gamble Award for Excellence in Teaching in 2003.

Keith E. Gubbins, North Carolina State University

Keith E. Gubbins is the W.H. Clark Distinguished University Professor at North Carolina State University, where he has been since 1998. He obtained his Ph.D. at the University of London and has been a faculty member at the University of Florida and Cornell University prior to joining North Carolina State University.