A study of square-well statistical associating fluid theory approximations

被引:31
作者
Adidharma, H
Radosz, M [1 ]
机构
[1] Louisiana State Univ, Dept Chem Engn, Baton Rouge, LA 70803 USA
[2] Louisiana State Univ, Macromol Studies Grp, Baton Rouge, LA 70803 USA
关键词
equation of state; perturbation theory; square-well SAFT; dimer reference; vapor pressure; liquid density; second virial coefficient; alkanes;
D O I
10.1016/S0378-3812(99)00167-3
中图分类号
O414.1 [热力学];
学科分类号
摘要
Six square-well (SW) statistical associating fluid theory (SAFT) models, fitted to the experimental saturated liquid volume and saturated vapor pressure for pure n-alkanes, are analyzed for predicting the coexisting densities, second virial coefficients, and binary phase equilibria. The models that result in low values of the segment energy and weak molecular weight dependence of the parameters are found to be more accurate for real fluids. The inclusion of the dimer structure in the SW chain term seems to produce no significant benefit for representing real substances. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:1 / 20
页数:20
相关论文
共 29 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]  
[Anonymous], EQUILIBRIUM PROPERTI
[3]   MIXING RULES FOR BINARY LENNARD-JONES FLUID STRUCTURES [J].
BANASZAK, M ;
CHIEW, YC ;
RADOSZ, M .
FLUID PHASE EQUILIBRIA, 1995, 111 (02) :161-174
[4]   Copolymer SAFT equation of state. Thermodynamic perturbation theory extended to heterobonded chains [J].
Banaszak, M ;
Chen, CK ;
Radosz, M .
MACROMOLECULES, 1996, 29 (20) :6481-6486
[5]   THERMODYNAMIC PERTURBATION-THEORY - STICKY CHAINS AND SQUARE-WELL CHAINS [J].
BANASZAK, M ;
CHIEW, YC ;
RADOSZ, M .
PHYSICAL REVIEW E, 1993, 48 (05) :3760-3765
[6]   THERMODYNAMIC PERTURBATION-THEORY - LENNARD-JONES CHAINS [J].
BANASZAK, M ;
CHIEW, YC ;
OLENICK, R ;
RADOSZ, M .
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (05) :3803-3807
[7]   THEORIES OF LIQUIDS [J].
BARKER, JA ;
HENDERSON, D .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1972, 23 :439-+
[8]   WHAT IS LIQUID - UNDERSTANDING STATES OF MATTER [J].
BARKER, JA ;
HENDERSON, D .
REVIEWS OF MODERN PHYSICS, 1976, 48 (04) :587-671
[9]   EQUATION OF STATE FOR NONATTRACTING RIGID SPHERES [J].
CARNAHAN, NF ;
STARLING, KE .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (02) :635-&
[10]   A COMPLETELY ANALYTIC PERTURBATION-THEORY FOR THE SQUARE-WELL FLUID OF VARIABLE WELL WIDTH [J].
CHANG, J ;
SANDLER, SI .
MOLECULAR PHYSICS, 1994, 81 (03) :745-765