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

被引:16
作者
Aghamiri, SF
Modarress, H [1 ]
Mansoori, GA
机构
[1] Amirkabir Univ Technol, Dept Chem Engn, 424 Hafez Ave, Tehran, Iran
[2] Univ Isfahan, Dept Chem Engn, Esfahan, Iran
关键词
D O I
10.1021/jp003268l
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
In this work, a new generalized chemical theory of association is developed and is used to derive the distribution function of associated species formed due to hydrogen bonding in a pure associating fluid. The concepts of conformal solution theory are extended to consider the pure associating fluids, and the derived distribution function is used to obtain the conformal parameters. A general procedure is proposed for computing the parameters of any 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 state are obtained. The PVT calculations for three associating fluids (water, ammonia, and methanol) substantiate the effectiveness of the proposed approach.
引用
收藏
页码:2820 / 2825
页数:6
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