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Parameterization of Models for Vapor Solubility in Semicrystalline Polyethylene
Author(s) -
Savatsky Bruce J.,
Moebus Joseph A.,
Greenhalgh Brian. R.
Publication year - 2019
Publication title -
macromolecular reaction engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 32
eISSN - 1862-8338
pISSN - 1862-832X
DOI - 10.1002/mren.201900003
Subject(s) - solubility , thermodynamics , crystallinity , equation of state , work (physics) , isopentane , uniquac , polyethylene , polymer , hildebrand solubility parameter , materials science , hydrocarbon , chemistry , activity coefficient , organic chemistry , physics , aqueous solution , composite material , non random two liquid model , catalysis
This paper extends the previous article by the authors on the solubility of hydrocarbon vapors in semicrystalline polyethylenes produced in the gas phase process. That work demonstrates a computational model for solubility based on an activity coefficient modification of the Sako–Wu–Prausnitz equation of state. In that work, by fitting a key parameter, one related to the constraint of tie chains on polymer fluid behavior, to a single isopentane solubility isotherm, accurate predictions of hydrocarbon solubility in polymer granules over a range of temperature, pressure, and composition are reported. In the present work, additional experimental solubility data are reported, an error in the authors' previous article is corrected, and a useful parameterization method that improves the predictive capabilities of the model is demonstrated. By using the model to predict much of the authors' own experimental data, as well as that published by others in the field, it is demonstrated how the proposed parameterization method allows for accurate predictions using a limited amount of experimental measurements.