Augmented Scaled Particle Theory

被引:5
|
作者
Qao, C. Z. [1 ,2 ,3 ]
Zhao, S. L. [1 ,2 ]
Liu, H. L. [2 ]
Dong, W. [3 ]
机构
[1] East China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China
[2] East China Univ Sci & Technol, Sch Chem Engn, Shanghai 200237, Peoples R China
[3] Univ Lyon, Univ Lyon 1, Ecole Normale Super Lyon, CNRS,Lab Chim,UMR 5182, F-69364 Lyon, France
来源
JOURNAL OF PHYSICAL CHEMISTRY B | 2020年 / 124卷 / 07期
基金
中国国家自然科学基金;
关键词
ADDITIVE HARD SPHERES; EQUATION-OF-STATE; IMPROVED PREDICTIONS; THERMODYNAMICS; FLUIDS; PROOF;
D O I
10.1021/acs.jpcb.9b09690
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 original motivation for scaled particle theory (SPT) is to derive a simple equation of state for a bulk hard sphere (HS) fluid. It is now widely recognized that SPT provides also the surface tension of a HS fluid near a spherical hard wall, including three contributions, i.e., the planar surface tension and two bending rigidities due to the surface curvatures (integrated mean and Gauss curvatures). This conforms to the basic assumption of morphological thermodynamics. The existence of non-Hadwiger terms, i.e., higher-order curvature terms, has been evidenced recently. Augmenting SPT by only one non-Hadwiger term, i.e., third-order curvature term, allows us to obtain two new analytical theories, which not only describe very accurately bulk thermodynamic properties but also improve systematically surface ones with respect to SPT.
引用
收藏
页码:1207 / 1217
页数:11
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