Communication: Analytic continuation of the virial series through the critical point using parametric approximants

被引:21
作者
Barlow, Nathaniel S. [1 ]
Schultz, Andrew J. [2 ]
Weinstein, Steven J. [3 ]
Kofke, David A. [2 ]
机构
[1] Rochester Inst Technol, Sch Math Sci, Rochester, NY 14623 USA
[2] SUNY Buffalo, Dept Chem & Biol Engn, Buffalo, NY 14260 USA
[3] Rochester Inst Technol, Dept Chem Engn, Rochester, NY 14623 USA
基金
美国国家科学基金会;
关键词
SQUARE-WELL FLUIDS; EQUATION; STATE; SIMULATIONS;
D O I
10.1063/1.4929392
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
The mathematical structure imposed by the thermodynamic critical point motivates an approximant that synthesizes two theoretically sound equations of state: the parametric and the virial. The former is constructed to describe the critical region, incorporating all scaling laws; the latter is an expansion about zero density, developed from molecular considerations. The approximant is shown to yield an equation of state capable of accurately describing properties over a large portion of the thermodynamic parameter space, far greater than that covered by each treatment alone. (C) 2015 AIP Publishing LLC.
引用
收藏
页数:5
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