Phase equilibria in binary mixtures of propane and phenanthrene: Measurements and modeling

Cor Peters, Bianca Breure, Ioannis Economou, Francisco Vargas

Research output: Chapter in Book/Report/Conference proceedingConference contribution


Systems consisting of a volatile solvent composed of small molecules, such as propane, and a solute consisting of low volatile, complex molecules, such as poly-aromatic compounds, are known to show complex phase behavior. Multiphase fluid behavior may occur as well as the occurrence of a solid phase, which further increases the complexity of the phase diagrams. The present work focuses on binary mixtures consisting of propane + phenanthrene. This system shows type III phase behavior in the classification of Scott andVan Konynenburg. Various two-phase and three-phase equilibria were measured experimentally, including equilbria in the presence of solid phenanthrene. Based on the course of the various three-phase equilibriaan estimation could be made for the location of thequadruple point solid phenanthrene-liquid-liquid-vapor. A Group Contribution Equation of State (GC-EoS)developed by Skjold-Jrgensen was applied to reproduce the experimental datapoints. Phenanthrene was considered as a single groupfor which pure group parameters had to be determined by fitting phenanthrene vapor pressure data. Interaction parametersbetween phenanthrene and the CH 3 and CH 2groups in propane were fitted to propane-phenanthrenebubble point data. The GC-EoS was applied tocalculate vapor and liquid phase fugacities which wererequired in the phase equilibria calculations. The fugacity of pure solid phenanthrene was related to the fugacity of the pure subcooled liquid using changes in Gibbs free energy and a thermodynamic cycle which proceeds from the subcooled liquid to the solid state and passes through the triple point. Good agreement between experimental and calculated phase equilibrium data was obtained with the GC-EoS.

Original languageEnglish
Title of host publication11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings
Publication statusPublished - 1 Dec 2011
Event2011 AIChE Annual Meeting, 11AIChE - Minneapolis, MN, United States
Duration: 16 Oct 201121 Oct 2011

Publication series

Name11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings


Other2011 AIChE Annual Meeting, 11AIChE
CountryUnited States
CityMinneapolis, MN


ASJC Scopus subject areas

  • Chemical Engineering(all)

Cite this

Peters, C., Breure, B., Economou, I., & Vargas, F. (2011). Phase equilibria in binary mixtures of propane and phenanthrene: Measurements and modeling. In 11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings (11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings).