A new theoretical approach to the hydrogen-bonded fluids based on the conformal solution concept

Citation
Sf. Aghamiri et al., A new theoretical approach to the hydrogen-bonded fluids based on the conformal solution concept, J PHYS CH B, 105(14), 2001, pp. 2820-2825
Citations number
27
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
105
Issue
14
Year of publication
2001
Pages
2820 - 2825
Database
ISI
SICI code
1520-6106(20010412)105:14<2820:ANTATT>2.0.ZU;2-5
Abstract
In this work, a new generalized chemical theory of association is developed and is used to derive the distribution function of associated species form ed due to hydrogen bonding in a pure associating fluid. The concepts of con formal solution theory are extended to consider the pure associating fluids , and the derived distribution function is used to obtain the conformal par ameters. A general procedure is proposed for computing the parameters of an y cubic equation of state based on the conformal solution theory developed in this work. As an example, the parameters of van der Waals equation of st ate are obtained. The PVT calculations for three associating fluids (water, ammonia, and methanol) substantiate the effectiveness of the proposed appr oach.