EQUATIONS OF STATE FOR PURE AND MIXTURE SQUARE-WELL FLUIDS .2. EQUATIONS OF STATE

被引:34
作者
GUO, MX [1 ]
WANG, WC [1 ]
LU, HZ [1 ]
机构
[1] BEIJING INST CHEM TECHNOL,DEPT CHEM ENGN,BEIJING 100029,PEOPLES R CHINA
基金
美国国家科学基金会;
关键词
D O I
10.1016/0378-3812(90)85054-E
中图分类号
O414.1 [热力学];
学科分类号
摘要
New coordination number models for square-well (SW) fluids are incorporated with the generalized van der Waals partition function to develop equations of state for both pure and mixture SW fluids. The equations of state have been extensively tested with the Monte Carlo simulation data, of which three sets (18 data points) for the pure SW fluids are produced in this work. The results show that, without any parameters, our model reasonably describes not only the PVT behaviors but also the second and third virial coefficients of the model fluids. In addition, a comprehensive comparison has been made between our models and the other equations of state derived from the Lee-Chao and Lee-Sandler coordination number correlations. © 1990.
引用
收藏
页码:221 / 237
页数:17
相关论文
共 13 条
[1]   STUDIES IN MOLECULAR DYNAMICS .10. CORRECTIONS TO AUGMENTED VAN-DER-WAALS THEORY FOR SQUARE-WELL FLUID [J].
ALDER, BJ ;
YOUNG, DA ;
MARX, MA .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) :3013-&
[2]   INTERMOLECULAR REPULSIONS AND EQUATION OF STATE FOR FLUIDS [J].
CARNAHAN, NF ;
STARLING, KE .
AICHE JOURNAL, 1972, 18 (06) :1184-&
[3]   EQUATIONS OF STATE FOR PURE AND MIXTURE SQUARE-WELL FLUIDS .1. COORDINATION-NUMBER MODELS [J].
GUO, MX ;
WANG, WC ;
LU, HZ .
FLUID PHASE EQUILIBRIA, 1990, 60 (1-2) :37-45
[4]   MONTE-CARLO AND HYPERNETTED CHAIN EQUATION OF STATE FOR SQUARE-WELL FLUID [J].
HENDERSON, D ;
MADDEN, WG ;
FITTS, DD .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) :5026-5034
[5]  
Kihara T., 1943, NIPPONSUUGAKUBUTURIG, V17, P11
[6]   THE GENERALIZED VANDERWAALS PARTITION-FUNCTION .5. MIXTURE OF SQUARE-WELL FLUIDS OF DIFFERENT SIZES AND ENERGIES [J].
LEE, KH ;
DODD, LR ;
SANDLER, SI .
FLUID PHASE EQUILIBRIA, 1989, 50 (1-2) :53-77
[7]   THE GENERALIZED VANDERWAALS PARTITION-FUNCTION .4. LOCAL COMPOSITION MODELS FOR MIXTURES OF UNEQUAL-SIZE MOLECULES [J].
LEE, KH ;
SANDLER, SI .
FLUID PHASE EQUILIBRIA, 1987, 34 (2-3) :113-147
[8]   COORDINATION-NUMBER AND THERMODYNAMICS OF SQUARE-WELL FLUID MIXTURES [J].
LEE, RJ ;
CHAO, KC .
MOLECULAR PHYSICS, 1987, 61 (06) :1431-1442
[9]  
LEE RJ, 1985, THESIS PURDUE U
[10]  
REED T, 1973, APPLIED STATISTICAL