Thermodynamic inconsistencies in and accuracy of chemical equations of state for associating fluids

Ioannis Economou, Marc D. Donohue

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

Hydrogen bonding is usually taken into account through the use of chemical theory. Thermodynamic properties of associating systems are calculated by solving the equations for chemical and physical equilibria simultaneously. Recently, many equations of state have been proposed for associating components with a built-in chemical theory based on the approach of Heidemann and Prausnitz. Many of these theories assume that the chemical and physical interactions can be separated in the equation of state. In this work, we review equations of state for associating fluids using chemical theory and show that an arbitrary separation of chemical and physical interactions can be thermodynamically inconsistent. Comparisons are made for the various equations of state with Monte Carlo simulation data.

Original languageEnglish
Pages (from-to)1203-1211
Number of pages9
JournalIndustrial and Engineering Chemistry Research
Volume31
Issue number4
Publication statusPublished - 1992
Externally publishedYes

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Equations of state
equation of state
thermodynamics
Thermodynamics
Fluids
fluid
thermodynamic property
chemical
Hydrogen bonds
Thermodynamic properties
hydrogen
simulation

ASJC Scopus subject areas

  • Chemical Engineering (miscellaneous)
  • Environmental Science(all)
  • Polymers and Plastics

Cite this

Thermodynamic inconsistencies in and accuracy of chemical equations of state for associating fluids. / Economou, Ioannis; Donohue, Marc D.

In: Industrial and Engineering Chemistry Research, Vol. 31, No. 4, 1992, p. 1203-1211.

Research output: Contribution to journalArticle

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