Computational and physical performance of a modified PC-SAFT equation of state for highly asymmetric and associating mixtures

被引：240
作者：
von Solms, N [1 ]
Michelsen, ML [1 ]
Kontogeorgis, GM [1 ]
机构：
[1] Tech Univ Denmark, Dept Chem Engn, SEP, IVC,Ctr Phase Equilibria & Separat Proc, DK-2800 Lyngby, Denmark
来源：
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH | 2003年 / 42卷 / 05期
关键词：
D O I：
10.1021/ie020753p
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
Two modifications to perturbed-chain statistical associating fluid theory are proposed which simplify the calculation of phase-equilibrium properties for nonassociating and associating systems, polymers, and simple molecules without loss of accuracy. A simple linear extrapolation scheme is proposed to obtain parameters for linear alkanes up to polyethylene. It is shown that computing times are greatly reduced using these modifications and compare favorably with traditional equations of state for nonassociating and associating systems.
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收藏
页码：1098 / 1105
页数：8
相关论文
共 74 条
[1]   Phase equilibria of saturated and unsaturated polyisoprene in sub- and supercritical ethane, ethylene, propane, propylene, and dimethyl ether [J].
Albrecht, KL ;
Stein, FP ;
Han, SJ ;
Gregg, CJ ;
Radosz, M .
FLUID PHASE EQUILIBRIA, 1996, 117 (1-2) :84-91
[2]   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
[3]   HIGH POLYMER SOLUTIONS .7. VAPOUR PRESSURE OF POLYSTYRENE SOLUTIONS IN ACETONE, CHLOROFORM AND PROPYL ACETATE [J].
BAWN, CEH ;
WAJID, MA .
TRANSACTIONS OF THE FARADAY SOCIETY, 1956, 52 (12) :1658-1664
[4]   Modeling of the separation of polydisperse polymer systems by compressed gases [J].
Behme, S ;
Sadowski, G ;
Arlt, W .
FLUID PHASE EQUILIBRIA, 1999, 158 :869-877
[5]   Thermodynamic properties and phase equilibria of branched chain fluids using first- and second-order Wertheim's thermodynamic perturbation theory [J].
Blas, FJ ;
Vega, LF .
JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (08) :3906-3915
[6]  
Bokis CP, 1999, CHEM ENG PROG, V95, P39
[7]   Fluid-liquid transitions of poly(ethylene-co-octene-1) in supercritical ethylene solutions [J].
Chan, AKC ;
Adidharma, H ;
Radosz, M .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2000, 39 (11) :4370-4375
[8]   Fluid-liquid and fluid-solid transitions of poly(ethylene-co-octene-1) in sub- and supercritical propane solutions [J].
Chan, KC ;
Adidharma, H ;
Radosz, M .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2000, 39 (08) :3069-3075
[9]   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
[10]   Statistical associating fluid theory equation of state with Lennard-Jones reference applied to pure and binary n-alkane systems [J].
Chen, CK ;
Banaszak, M ;
Radosz, M .
JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (13) :2427-2431
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