SIMULATION OF PHASE-EQUILIBRIA FOR POLYMER-SUPERCRITICAL SOLVENT MIXTURES

Authors
GROMOV DG DEPABLO JJ LUNABARCENAS G SANCHEZ IC JOHNSTON KP
Citation
Dg. Gromov et al., SIMULATION OF PHASE-EQUILIBRIA FOR POLYMER-SUPERCRITICAL SOLVENT MIXTURES, The Journal of chemical physics, 108(11), 1998, pp. 4647-4653
Citations number
32
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
108
Issue
11
Year of publication
1998
Pages
4647 - 4653
Database
ISI
SICI code
0021-9606(1998)108:11<4647:SOPFPS>2.0.ZU;2-7
Abstract
Phase equilibria for mixtures of a polymer and a supercritical solvent are investigated by means of expanded Gibbs ensemble simulations. Bot h lower and upper critical solution temperature (LCST and UCST) phenom ena are observed for such systems. A closed-loop phase diagram is obse rved for systems with no specific interactions. The results of our sim ulations for Lennard-Jones polymer-solvent mixtures are in qualitative agreement with experimental data for polymers in supercritical solven ts. (C) 1998 American Institute of Physics.