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Thermodynamics of hydrogen‐bonded molecules: The associated perturbed anisotropic chain theory
Author(s) -
Ikonomou G. D.,
Donohue M. D.
Publication year - 1986
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690321015
Subject(s) - thermodynamics , anisotropy , dipole , molecule , chain (unit) , chemistry , quadrupole , equation of state , hydrogen , hydrogen bond , component (thermodynamics) , diluent , physics , organic chemistry , quantum mechanics
The perturbed anisotropic chain theory (PACT) developed by Vimalchand and Donohue has been generalized to treat pure fluids that associate through hydrogen bonding, as well as mixtures of one associating component and several diluents. Using an approach similar to that of Heidemann and Prausnitz, a closed‐form equation of state has been derived. It is applicable to simple as well as complex molecules at both gas and liquidlike densities and takes into account dipole and/or quadrupole moments. Molecular parameters were obtained by fitting the equation to experimental liquid density and vapor pressure data.