SAFT1 for associating fluids: Alkanols

被引:20
作者
Adidharma, H [1 ]
Radosz, M [1 ]
机构
[1] Univ Wyoming, Dept Chem & Petr Engn, Laramie, WY 82071 USA
来源
JOURNAL OF PHYSICAL CHEMISTRY B | 2001年 / 105卷 / 40期
关键词
D O I
10.1021/jp003688a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The SAFT1 equation of state is extended using Wertheim's theory to model associating fluids and tested on pure alkanols and mixtures containing alkanols. For small 1-alkanols, SAFT1 is found to represent the vapor pressure and liquid density. The SAFT1 parameters are shown to be well-behaved and hence possible to estimate for high-molecular-weight 1-alkanols and hydroxy polymers on the basis of their molecular weight alone.
引用
收藏
页码:9822 / 9827
页数:6
相关论文
共 35 条
[1]   Prototype of an engineering equation of state for heterosegmented polymers [J].
Adidharma, H ;
Radosz, M .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 1998, 37 (11) :4453-4462
[2]   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-&
[3]   OPTIMIZED CLUSTER EXPANSIONS FOR CLASSICAL FLUIDS .1. GENERAL THEORY AND VARIATIONAL FORMULATION OF MEAN SPHERICAL MODEL AND HARD-SPHERE PERCUS-YEVICK EQUATIONS [J].
ANDERSEN, HC ;
CHANDLER, D .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05) :1918-+
[4]   THERMODYNAMIC PERTURBATION-THEORY - LENNARD-JONES CHAINS [J].
BANASZAK, M ;
CHIEW, YC ;
OLENICK, R ;
RADOSZ, M .
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (05) :3803-3807
[5]   Prediction of binary and ternary diagrams using the statistical associating fluid theory (SAFT) equation of state [J].
Blas, FJ ;
Vega, LF .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 1998, 37 (02) :660-674
[6]   PREDICTION OF THE THERMODYNAMIC PROPERTIES OF ASSOCIATING LENNARD-JONES FLUIDS - THEORY AND SIMULATION [J].
CHAPMAN, WG .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (06) :4299-4304
[7]   SAFT - EQUATION-OF-STATE SOLUTION MODEL FOR ASSOCIATING FLUIDS [J].
CHAPMAN, WG ;
GUBBINS, KE ;
JACKSON, G ;
RADOSZ, M .
FLUID PHASE EQUILIBRIA, 1989, 52 :31-38
[8]   NEW REFERENCE EQUATION OF STATE FOR ASSOCIATING LIQUIDS [J].
CHAPMAN, WG ;
GUBBINS, KE ;
JACKSON, G ;
RADOSZ, M .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 1990, 29 (08) :1709-1721
[9]   Prediction of phase equilibria for refrigerant mixtures of difluoromethane (HFC-32), 1,1,1,2-tetrafluoroethane (HFC-134a), and pentafluoroethane (HFC-125a) using SAFT-VR [J].
Galindo, A ;
Gil-Villegas, A ;
Whitehead, PJ ;
Jackson, G ;
Burgess, AN .
JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (39) :7632-7639
[10]   Predicting the high-pressure phase equilibria of binary aqueous solutions of 1-butanol, n-butoxyethanol and n-decylpentaoxyethylene ether (C10E5) using the SAFT-HS approach [J].
Garcia-Lisbona, MN ;
Galindo, A ;
Jackson, G ;
Burgess, AN .
MOLECULAR PHYSICS, 1998, 93 (01) :57-71