EQUATION OF STATE FOR LENNARD-JONES FLUID MIXTURES

被引:6
作者
MIYANO, Y
机构
[1] Department of Applied Chemistry, Okayama University of Science, Okayama, 700
关键词
D O I
10.1016/0378-3812(91)85051-U
中图分类号
O414.1 [热力学];
学科分类号
摘要
Using a mixing rule based on the Barker-Henderson perturbation theory, an equation of state for Lennard-Jones pure fluids is extended to mixtures. This equation of state has been tested against computer simulation results for the Lennard-Jones binary mixtures. The Weeks-Chandler-Andersen (WCA) perturbation theory and three other mixing rules, a van der Waals one-fluid model, a modified van der Waals one-fluid model and a mean density approximation, have also been tested. The comparison with the computer simulation results shows the WCA theory and the equation of state using the proposed mixing rule give excellent results.
引用
收藏
页码:125 / 141
页数:17
相关论文
共 19 条
[1]   PERTURBATION THEORY AND EQUATION OF STATE FOR FLUIDS .2. A SUCCESSFUL THEORY OF LIQUIDS [J].
BARKER, JA ;
HENDERSO.D .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (11) :4714-&
[2]   CONFORMALITY IN THE KIRKWOOD-BUFF SOLUTION THEORY OF STATISTICAL-MECHANICS [J].
HAMAD, EZ ;
MANSOORI, GA ;
ELY, JF .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (03) :1478-1484
[3]   THE EXTENSION OF PURE FLUID THERMODYNAMIC PROPERTIES TO SUPERCRITICAL MIXTURES - A COMPARISON OF CURRENT THEORIES WITH COMPUTER-DATA OVER A LARGE REGION OF STATES [J].
HOHEISEL, C ;
DEITERS, U ;
LUCAS, K .
MOLECULAR PHYSICS, 1983, 49 (01) :159-170
[4]   PERTURBATION-THEORY FOR MIXTURES OF SIMPLE LIQUIDS [J].
LEE, LL ;
LEVESQUE, D .
MOLECULAR PHYSICS, 1973, 26 (06) :1351-1370
[5]   STATISTICAL THERMODYNAMICS OF MIXTURES OF MOLECULES OF DIFFERENT SIZES [J].
LELAND, TW ;
ROWLINSON, JS ;
SATHER, GA .
TRANSACTIONS OF THE FARADAY SOCIETY, 1968, 64 (546P) :1447-+
[6]   CHEMICAL-POTENTIALS OF MODEL AND REAL DENSE FLUID MIXTURES FROM PERTURBATION-THEORY AND SIMULATIONS [J].
LOTFI, A ;
FISCHER, J .
MOLECULAR PHYSICS, 1989, 66 (01) :199-219
[7]   STATISTICAL MECHANICAL THEORY OF LOCAL COMPOSITIONS [J].
MANSOORI, GA ;
ELY, JF .
FLUID PHASE EQUILIBRIA, 1985, 22 (03) :253-275
[8]   EQUILIBRIUM THERMODYNAMIC PROPERTIES OF MISTURE OF HARD SPHERES [J].
MANSOORI, GA ;
CARNAHAN, NF ;
STARLING, KE ;
LELAND, TW .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (04) :1523-&
[9]  
Mansoori J.A., 1972, J CHEM SOC FARAD T 2, V68, P320