EQUATION OF STATE OF PLANAR HARD MOLECULAR FLUIDS - HARD CYCLIC MULTIMER SYSTEM

被引：5
作者：
BRANKA, AC
WOJCIECHOWSKI, KW
机构：
[1] Institute of Molecular Physics, Polish Academy of Sciences, 60-179 Poznań
来源：
CHEMICAL PHYSICS | 1994年 / 181卷 / 1-2期
关键词：
D O I：
10.1016/0301-0104(94)85011-9
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：
A system of planar hard non-convex molecules consisting of hard discs, hard cyclic multimers (HCM), is studied in order to examine various semi-empirical approaches to the equation of state of a two-dimensional hard molecular fluid. Compressibility factors of the HCM fluid are obtained at different densities and molecular anisotropies by the Monte Carlo simulations. Various geometrical characteristics (molecular volumes and surfaces, interaction surfaces, and the second virial coefficients) are calculated. A one-parameter equation of state based on the modified scaled particle theory is proposed. It represents very well the simulation results over the entire density range even for fairly anisotropic molecules.
引用
收藏
页码：29 / 38
页数：10
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