DOI

A contact-site quasichemical equation of state has been used Tor the modeling of different kinds of fluid phase equilibria (between a gas phase and one or more liquids) over a wide range of conditions. Among the systems of interest are the ternary mixtures water + alkanols + hydrocarbons (alkanes or alkynes), water + alkanols (or acetone)+ CO2, water + polyoxyethyleneglycol ethers + heavy alkanes. The model has been applied to describing the thermodynamic properties of the binary subsystems and to predict the phase behavior of the ternary systems. For longer-chain alkanols and hydrocarbons a group-contribution approach is implemented, which allows the modeling when no experimental data are available. The model gives reasonable predictions of phase behavior and the correct trends in the calculated phase diagrams in most cases. The concentrations of associates in liquid and gas phases are estimated by the model and compared with some experimental and computer simulation data. The predictive abilities of the model, its limitations, and possible ways of its improvement are discussed.

Original languageEnglish
Pages (from-to)1287-1297
Number of pages11
JournalInternational Journal of Thermophysics
Volume16
Issue number5
DOIs
StatePublished - Sep 1995

    Scopus subject areas

  • Condensed Matter Physics

    Research areas

  • associating fluids, contact-site model, equation of state, group contribution, monomer fraction, multiphase equilibria

ID: 10847610