An improved prediction result of entropic-FV model for vapor-liquid equilibria of solvent-polymer systems

In this work, entropic expressions of UNIFAC‐FV and Entropic‐FV models were evaluated by using an extensive database of infinite dilution vapor–liquid equilibrium (VLE) data of athermal systems containing polypropylene, polyethylene, and polyisobutylene. For the infinite dilution athermal systems, p...

Full description

Saved in:
Bibliographic Details
Published in:Journal of applied polymer science 2005-08, Vol.97 (3), p.1145-1153
Main Authors: Wibawa, Gede, Takishima, Shigeki, Sato, Yoshiyuki, Masuoka, Hirokatsu
Format: Article
Language:English
Subjects:
Applied sciences
calculations
Exact sciences and technology
Organic polymers
Physicochemistry of polymers
Properties and characterization
solubility
solution properties
Thermal and thermodynamic properties
thermodynamics
UNIFAC
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In this work, entropic expressions of UNIFAC‐FV and Entropic‐FV models were evaluated by using an extensive database of infinite dilution vapor–liquid equilibrium (VLE) data of athermal systems containing polypropylene, polyethylene, and polyisobutylene. For the infinite dilution athermal systems, performance of the Entropic‐FV model was better than that of the UNIFAC‐FV model. Then, finite concentration VLE data of non‐athermal systems that consisted of 16 polymers and 36 solvents containing a large variety of solvent–polymer systems ranging from nonpolar to polar substances were considered to optimized 46 pairs of group interaction parameters of the Entropic‐FV model. For systems containing polar solvents of three types of solvents studied, revised group interaction parameters gave significant improvements from 17.9 to 13.0% average absolute deviation (AAD) of solvent activities. For overall results, improvements were achieved from 15.1 to 12.4% AAD. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 97: 1145–1153, 2005
ISSN:0021-8995
1097-4628
DOI:10.1002/app.21782