A SIMPLE EQUATION OF STATE FOR THE LENNARD-JONES FLUID - A NEW REFERENCE TERM FOR EQUATIONS OF STATE AND PERTURBATION THEORIES

被引：16

作者：

KOUTRAS, NK ^{[1
]}

HARISMIADIS, VI ^{[1
]}

TASSIOS, DP ^{[1
]}

机构：

[1] NATL TECH UNIV ATHENS,DEPT CHEM ENGN,GR-15773 ZOGRAFOS,GREECE

来源：

FLUID PHASE EQUILIBRIA | 1992年 / 77卷

关键词：

D O I：

10.1016/0378-3812(92)85097-R

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

A simple equation of state (EoS) for the Lennard-Jones (LJ) fluid that has a form similar to the Carnahan-Starling (CS) equation of state for the hard sphere fluid is presented. Excellent agreement between simulation data and calculated values for vapor pressures, saturated liquid and vapor densities and vapor PVT behavior is obtained for subcritical temperatures except in the critical region. For supercritical temperatures, the results are satisfactory but become less so with increased temperature and density. When combined with the van der Waals one fluid theory, the proposed equation provides satisfactory agreement with molecular simulation vapor-liquid equilibria results for binary LJ mixtures. Its overall behavior makes it suitable for use as a reference term in equations of state for real fluids.

引用

页码：13 / 38

页数：26

共 20 条

[11] 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

[12] EQUATION OF STATE FOR THE LENNARD-JONES FLUID [J].

NICOLAS, JJ ;

GUBBINS, KE ;

STREETT, WB ;

TILDESLEY, DJ .

MOLECULAR PHYSICS, 1979, 37 (05) :1429-1454

[13] PHASE-EQUILIBRIA BY SIMULATION IN THE GIBBS ENSEMBLE - ALTERNATIVE DERIVATION, GENERALIZATION AND APPLICATION TO MIXTURE AND MEMBRANE EQUILIBRIA [J].

PANAGIOTOPOULOS, AZ ;

QUIRKE, N ;

STAPLETON, M ;

TILDESLEY, DJ .

MOLECULAR PHYSICS, 1988, 63 (04) :527-545

[14] DIRECT DETERMINATION OF PHASE COEXISTENCE PROPERTIES OF FLUIDS BY MONTE-CARLO SIMULATION IN A NEW ENSEMBLE [J].

PANAGIOTOPOULOS, AZ .

MOLECULAR PHYSICS, 1987, 61 (04) :813-826

[15]

PANAGIOTOPOULOS AZ, 1991, COMMUNICATION

[16]

PERRY RH, 1984, PERRY CHEM ENGN HDB

[17] THEORY OF POLAR LIQUIDS .1. DIPOLAR HARD SPHERES [J].

RUSHBROOKE, GS ;

STELL, G ;

HOYE, JS .

MOLECULAR PHYSICS, 1973, 26 (05) :1199-1215

[18] CALCULATION OF THE CHEMICAL-POTENTIAL IN THE GIBBS ENSEMBLE [J].

SMIT, B ;

FRENKEL, D .

MOLECULAR PHYSICS, 1989, 68 (04) :951-958

[19]

SMIT B, 1990, THESIS UTRECHT U

[20] EMPIRICAL CORRELATION OF SECOND VIRIAL-COEFFICIENTS [J].

TSONOPOULOS, C .

AICHE JOURNAL, 1974, 20 (02) :263-272

← 1 2 →