MIXING RULES FOR BINARY LENNARD-JONES FLUID STRUCTURES

被引:12
作者
BANASZAK, M [1 ]
CHIEW, YC [1 ]
RADOSZ, M [1 ]
机构
[1] RUTGERS STATE UNIV,DEPT CHEM & BIOCHEM ENGN,PISCATAWAY,NJ 08855
关键词
MIXING RULES; LENNARD-JONES MIXTURES; EQUATION OF STATE; COMPUTER SIMULATIONS;
D O I
10.1016/0378-3812(95)02736-X
中图分类号
O414.1 [热力学];
学科分类号
摘要
The mixing rule estimates of the radial distribution functions g(alpha beta)(r), from the van der Waals one-fluid and mean density approximations for Lennard-Jones fluid mixtures, are examined by comparing with Monte Carlo simulations. In addition, these mixing rule estimates of g(alpha beta)(r) are used to calculate the Helmholtz energy for Lennard-Jones homonuclear chain mixtures based on the thermodynamic perturbation theory (TPT). Two simplifying modifications of these mixing rules are proposed for the TPT mixture model. The accuracy of these simplified rules is examined and found to give accurate representation of the theoretically derived Helmholtz energy over a wide range of densities and temperatures.
引用
收藏
页码:161 / 174
页数:14
相关论文
共 15 条
[1]   THERMODYNAMIC PERTURBATION-THEORY - LENNARD-JONES CHAINS [J].
BANASZAK, M ;
CHIEW, YC ;
OLENICK, R ;
RADOSZ, M .
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (05) :3803-3807
[2]   PERTURBED HARD CHAIN THEORY FOR FLUID MIXTURES - THERMODYNAMIC PROPERTIES FOR MIXTURES IN NATURAL-GAS AND PETROLEUM TECHNOLOGY [J].
DONOHUE, MD ;
PRAUSNITZ, JM .
AICHE JOURNAL, 1978, 24 (05) :849-860
[3]   HOW GOOD IS CONFORMAL SOLUTIONS THEORY FOR PHASE-EQUILIBRIUM PREDICTIONS - GIBBS ENSEMBLE SIMULATIONS OF BINARY LENNARD-JONES MIXTURES [J].
HARISMIADIS, VI ;
KOUTRAS, NK ;
TASSIOS, DP ;
PANAGIOTOPOULOS, AZ .
FLUID PHASE EQUILIBRIA, 1991, 65 :1-18
[4]   PAIR CORRELATION-FUNCTIONS IN BINARY-MIXTURES FROM PURE FLUID DATA [J].
HOHEISEL, C ;
LUCAS, K .
MOLECULAR PHYSICS, 1984, 53 (01) :51-67
[5]   EQUATION OF STATE FOR SMALL, LARGE, POLYDISPERSE, AND ASSOCIATING MOLECULES - EXTENSION TO FLUID MIXTURES [J].
HUANG, SH ;
RADOSZ, M .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 1991, 30 (08) :1994-2005
[6]   EQUATION OF STATE FOR SMALL, LARGE, POLYDISPERSE, AND ASSOCIATING MOLECULES [J].
HUANG, SH ;
RADOSZ, M .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 1990, 29 (11) :2284-2294
[7]   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-+
[8]   RADIAL-DISTRIBUTION FUNCTIONS AND THEIR ROLE IN MODELING OF MIXTURES BEHAVIOR [J].
MANSOORI, GA .
FLUID PHASE EQUILIBRIA, 1993, 87 (01) :1-22
[9]  
Mansoori J.A., 1972, J CHEM SOC FARAD T 2, V68, P320
[10]   EQUATION OF STATE FOR LENNARD-JONES FLUID MIXTURES [J].
MIYANO, Y .
FLUID PHASE EQUILIBRIA, 1991, 66 (1-2) :125-141