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

摘要

In this work, entropic expressions of UNI-FAC-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. (c) 2005 Wiley Periodicals, Inc.