Accurate vapour-liquid equilibrium calculations of simple fluids

被引:13
|
作者
Cuadros, F
Okrasinski, W
Ahumada, W
Mulero, A
机构
[1] UNIV WROCLAW, INST MATH, PL-50384 WROCLAW, POLAND
[2] UNIV CATOLICA NORTE, DPTO FIS, ANTOFAGASTA, CHILE
关键词
liquid-vapour equilibrium curve; thermodynamic properties;
D O I
10.1080/01411599608208745
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
From computer simulation data of 3D Lennard-Jones fluids, we present very simple analytical equations of pressure and chemical potential as functions of the temperature and density. By using the standard thermodynamic procedure of a liquid-vapour equilibrium; i.e. pressure and chemical potential in the gas phase to be equal to the corresponding values in the liquid phase at a given temperature, we have been able to determine the vapour-liquid coexistence curve. Despite the simplicity of our method, we obtain more precise results than those published in the literature because we use simultaneously both equalities: for pressures and for chemical potentials.
引用
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页码:183 / 198
页数:16
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