Application of the sCPA equation of state for polymer solutions

Citation
Gm. Kontogeorgis et al., Application of the sCPA equation of state for polymer solutions, COMP TH POL, 10(6), 2000, pp. 501-506
Citations number
39
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
ISSN journal
10893156 → ACNP
Volume
10
Issue
6
Year of publication
2000
Pages
501 - 506
Database
ISI
SICI code
1089-3156(2000)10:6<501:AOTSEO>2.0.ZU;2-X
Abstract
Specific interactions, for example hydrogen bonding, dominate in numerous i ndustrially important polymeric systems, both polymer solutions and blends. Typical cases are water-soluble polymers including biopolymers of special interest to biotechnology (e.g. the system polyetfiyleneglycol/dextran/wate r). Furthermore, most polymer blends are non-compatible and the requirement for compatible polymer pairs is often the presence of hydrogen-bonding int eractions (e.g. polyvinylchloride/chlorinated polyethylene). In this work w e give at first a short, comparative evaluation of existing thermodynamic m odels suitable for polymeric systems that take into account, explicitly, sp ecific interactions Like HE. The range of application of the models in term s of phase equilibria and their specific characteristics (accuracy of calcu lation, degree of complexity) are discussed. Finally, vapor-liquid equilibr ia (VLE) calculations for a number of polymer + solvent systems (including five different polymers) with a novel and very promising model are presente d. This model is in the form of an equation of state that is (in its genera l formulation) non-cubic with respect to volume and has separate terms for physical and chemical interactions. The model has recently been proposed an d has already been successfully applied to (alcohol/water/hydrocarbons). Th is is the first time that it is extended to polymer solutions. (C) 2000 Els evier Science Ltd. All rights reserved.