Simulation of phase equilibria for polymer-supercritical solvent mixtures

被引：44

作者：

Gromov, DG ^{[1
]}

de Pablo, JJ

Luna-Bárcenas, G

Sanchez, IC

Johnston, KP

机构：

[1] Univ Wisconsin, Dept Chem Engn, Madison, WI 53706 USA

[2] Univ Texas, Dept Chem Engn, Austin, TX 78712 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1998年 / 108卷 / 11期

关键词：

D O I：

10.1063/1.475875

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：

Phase equilibria for mixtures of a polymer and a supercritical solvent are investigated by means of expanded Gibbs ensemble simulations. Both lower and upper critical solution temperature (LCST and UCST) phenomena are observed for such systems. A closed-loop phase diagram is observed for systems with no specific interactions. The results of our simulations for Lennard-Jones polymer-solvent mixtures are in qualitative agreement with experimental data for polymers in supercritical solvents. (C) 1998 American Institute of Physics.

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页码：4647 / 4653

页数：7

相关论文

共 32 条

[1]

ALLEN G, 1965, POLYMER, V6, P81

[2] CLOUD-POINT CURVES OF POLYMER-SOLUTIONS FROM THERMOOPTIC MEASUREMENTS [J].

BAE, YC ;

LAMBERT, SM ;

SOANE, DS ;

PRAUSNITZ, JM .

MACROMOLECULES, 1991, 24 (15) :4403-4407

[3]

BINDER K, 1995, OBSERVATION PREDICTI

[4] DENSITY-TUNED POLYOLEFIN PHASE-EQUILIBRIA .1. BINARY-SOLUTIONS OF ALTERNATING POLY(ETHYLENE PROPYLENE) IN SUBCRITICAL AND SUPERCRITICAL PROPYLENE, 1-BUTENE, AND 1-HEXENE - EXPERIMENT AND FLORY-PATTERSON MODEL [J].

CHEN, SJ ;

RADOSZ, M .

MACROMOLECULES, 1992, 25 (12) :3089-3096

[5] DENSITY-TUNED POLYOLEFIN PHASE-EQUILIBRIA .2. MULTICOMPONENT SOLUTIONS OF ALTERNATING POLY(ETHYLENE PROPYLENE) IN SUBCRITICAL AND SUPERCRITICAL OLEFINS - EXPERIMENT AND SAFT MODEL [J].

CHEN, SJ ;

ECONOMOU, IG ;

RADOSZ, M .

MACROMOLECULES, 1992, 25 (19) :4987-4995

[6] POLYMER CO-SOLVENT SYSTEMS .5. UPPER AND LOWER CRITICAL SOLUTION TEMPERATURES OF POLYSTYRENE IN N-ALKANES [J].

COWIE, JMG ;

MCEWEN, IJ .

POLYMER, 1983, 24 (11) :1445-1448

[7] FLUID PHASE-EQUILIBRIA IN THE SYSTEM POLYETHYLENE + ETHYLENE .1. SYSTEMS OF LINEAR POLYETHYLENE + ETHYLENE AT HIGH-PRESSURE [J].

DELOOS, TW ;

POOT, W ;

DIEPEN, GAM .

MACROMOLECULES, 1983, 16 (01) :111-117

[8] PRESSURE-DEPENDENCE OF POLYMER FLUIDS - APPLICATION OF THE LATTICE CLUSTER THEORY [J].

DUDOWICZ, J ;

FREED, KF .

MACROMOLECULES, 1995, 28 (19) :6625-6641

[9] PHASE EQUILIBRIA OF POLYMER-SOLVENT SYSTEMS AT HIGH PRESSURES NEAR THEIR CRITICAL LOCI .2. POLYETHYLENE-ETHYLENE [J].

EHRLICH, P .

JOURNAL OF POLYMER SCIENCE PART A-GENERAL PAPERS, 1965, 3 (1PA) :131-&

[10] Simulation and prediction of vapour-liquid equilibria for chain molecules [J].

Escobedo, FA ;

DePablo, JJ .

MOLECULAR PHYSICS, 1996, 87 (02) :347-366

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