Thermodynamic inconsistencies in and accuracy of chemical equations of state for associating fluids
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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. © 1992, American Chemical Society. All rights reserved.
author list (cited authors)
Economou, I. G., & Donohue, M. D.