Copolymer SAFT equation of state. Thermodynamic perturbation theory extended to heterobonded chains

被引:81
作者
Banaszak, M
Chen, CK
Radosz, M
机构
[1] LOUISIANA STATE UNIV,DEPT CHEM ENGN,BATON ROUGE,LA 70803
[2] UMIST,DEPT CHEM,MANCHESTER M60 1QD,LANCS,ENGLAND
[3] EXXON RES & ENGN CO,ANNANDALE,NJ 08801
[4] LOUISIANA STATE UNIV,MACROMOL STUDIES GRP,BATON ROUGE,LA 70803
关键词
D O I
10.1021/ma9517815
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
Thermodynamic perturbation theory of the first order (TPT1) is extended to heterobonded chains, such as heteronuclear and branched copolymers. The TPT1 formalism provides the basis for a copolymer equation of state. This new copolymer equation of state, referred to as Copolymer SAFT (Statistical Associating Fluid Theory), explicitly accounts for the effects of chain heterogeneity and microstructure. In order to illustrate potential future applications, Copolymer SAFT is used to calculate high-pressure cloud points in real polymer solutions of supercritical propane + poly(ethylene-co-butene).
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页码:6481 / 6486
页数:6
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