Miscibility of polymer blends with engineering models

Harismiadis Vassilis, A. R. D. van Bergen, Ana Saraiva Goncalves, Georgios Kontogeorgis, Aage Fredenslund, Tassios Dimitrios

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

The miscibility behavior of polymer blends that do not exhibit strong specific interactions is examined. Phase equilibrium calculations are presented with the van der Waals equation of state and three group-contribution models (UNIFAC, Entropic-FV, and GC-Flory). Performance of these models is also compared. The van der Waals equation of state was recently shown to accurately correlate and predict vapor-liquid and liquid-liquid equilibria for binary polymer/solvent solutions. In this work, it is demonstrated that it correlates the upper critical solution behavior of polymer blends with excellent accuracy using the usual mixing and combining rules and a single temperature- and composition-independent binary interaction parameter. This interaction parameter can be predicted via a generalized expression that uses only the pure component equation-of-state parameters. Using this generalized expression, the upper critical solution temperature can be predicted with an average error of less than 45 degrees C. The van der Waals equation of state can correlate the lower critical solution behavior of polymer blends, using an interaction parameter that is a linear function of temperature. The UNIFAC and Entropic-FV models, in general, are able to predict qualitatively the phase behavior of polymer blends, but quantitative predictions of the critical solution temperatures es are not achieved The GC-Flory equation of state fails to predict the upper critical solution behavior in polymer blends.
Original languageEnglish
JournalA I Ch E Journal
Volume42
Issue number11
Pages (from-to)3170-3180
ISSN0001-1541
DOIs
Publication statusPublished - 1996

Cite this

Vassilis, H., van Bergen, A. R. D., Goncalves, A. S., Kontogeorgis, G., Fredenslund, A., & Dimitrios, T. (1996). Miscibility of polymer blends with engineering models. A I Ch E Journal, 42(11), 3170-3180. https://doi.org/10.1002/aic.690421117
Vassilis, Harismiadis ; van Bergen, A. R. D. ; Goncalves, Ana Saraiva ; Kontogeorgis, Georgios ; Fredenslund, Aage ; Dimitrios, Tassios. / Miscibility of polymer blends with engineering models. In: A I Ch E Journal. 1996 ; Vol. 42, No. 11. pp. 3170-3180.
@article{5996506a25394be8ae217d8927ac2662,
title = "Miscibility of polymer blends with engineering models",
abstract = "The miscibility behavior of polymer blends that do not exhibit strong specific interactions is examined. Phase equilibrium calculations are presented with the van der Waals equation of state and three group-contribution models (UNIFAC, Entropic-FV, and GC-Flory). Performance of these models is also compared. The van der Waals equation of state was recently shown to accurately correlate and predict vapor-liquid and liquid-liquid equilibria for binary polymer/solvent solutions. In this work, it is demonstrated that it correlates the upper critical solution behavior of polymer blends with excellent accuracy using the usual mixing and combining rules and a single temperature- and composition-independent binary interaction parameter. This interaction parameter can be predicted via a generalized expression that uses only the pure component equation-of-state parameters. Using this generalized expression, the upper critical solution temperature can be predicted with an average error of less than 45 degrees C. The van der Waals equation of state can correlate the lower critical solution behavior of polymer blends, using an interaction parameter that is a linear function of temperature. The UNIFAC and Entropic-FV models, in general, are able to predict qualitatively the phase behavior of polymer blends, but quantitative predictions of the critical solution temperatures es are not achieved The GC-Flory equation of state fails to predict the upper critical solution behavior in polymer blends.",
author = "Harismiadis Vassilis and {van Bergen}, {A. R. D.} and Goncalves, {Ana Saraiva} and Georgios Kontogeorgis and Aage Fredenslund and Tassios Dimitrios",
year = "1996",
doi = "10.1002/aic.690421117",
language = "English",
volume = "42",
pages = "3170--3180",
journal = "A I Ch E Journal",
issn = "0001-1541",
publisher = "JohnWiley & Sons, Inc.",
number = "11",

}

Vassilis, H, van Bergen, ARD, Goncalves, AS, Kontogeorgis, G, Fredenslund, A & Dimitrios, T 1996, 'Miscibility of polymer blends with engineering models', A I Ch E Journal, vol. 42, no. 11, pp. 3170-3180. https://doi.org/10.1002/aic.690421117

Miscibility of polymer blends with engineering models. / Vassilis, Harismiadis; van Bergen, A. R. D.; Goncalves, Ana Saraiva; Kontogeorgis, Georgios; Fredenslund, Aage; Dimitrios, Tassios.

In: A I Ch E Journal, Vol. 42, No. 11, 1996, p. 3170-3180.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Miscibility of polymer blends with engineering models

AU - Vassilis, Harismiadis

AU - van Bergen, A. R. D.

AU - Goncalves, Ana Saraiva

AU - Kontogeorgis, Georgios

AU - Fredenslund, Aage

AU - Dimitrios, Tassios

PY - 1996

Y1 - 1996

N2 - The miscibility behavior of polymer blends that do not exhibit strong specific interactions is examined. Phase equilibrium calculations are presented with the van der Waals equation of state and three group-contribution models (UNIFAC, Entropic-FV, and GC-Flory). Performance of these models is also compared. The van der Waals equation of state was recently shown to accurately correlate and predict vapor-liquid and liquid-liquid equilibria for binary polymer/solvent solutions. In this work, it is demonstrated that it correlates the upper critical solution behavior of polymer blends with excellent accuracy using the usual mixing and combining rules and a single temperature- and composition-independent binary interaction parameter. This interaction parameter can be predicted via a generalized expression that uses only the pure component equation-of-state parameters. Using this generalized expression, the upper critical solution temperature can be predicted with an average error of less than 45 degrees C. The van der Waals equation of state can correlate the lower critical solution behavior of polymer blends, using an interaction parameter that is a linear function of temperature. The UNIFAC and Entropic-FV models, in general, are able to predict qualitatively the phase behavior of polymer blends, but quantitative predictions of the critical solution temperatures es are not achieved The GC-Flory equation of state fails to predict the upper critical solution behavior in polymer blends.

AB - The miscibility behavior of polymer blends that do not exhibit strong specific interactions is examined. Phase equilibrium calculations are presented with the van der Waals equation of state and three group-contribution models (UNIFAC, Entropic-FV, and GC-Flory). Performance of these models is also compared. The van der Waals equation of state was recently shown to accurately correlate and predict vapor-liquid and liquid-liquid equilibria for binary polymer/solvent solutions. In this work, it is demonstrated that it correlates the upper critical solution behavior of polymer blends with excellent accuracy using the usual mixing and combining rules and a single temperature- and composition-independent binary interaction parameter. This interaction parameter can be predicted via a generalized expression that uses only the pure component equation-of-state parameters. Using this generalized expression, the upper critical solution temperature can be predicted with an average error of less than 45 degrees C. The van der Waals equation of state can correlate the lower critical solution behavior of polymer blends, using an interaction parameter that is a linear function of temperature. The UNIFAC and Entropic-FV models, in general, are able to predict qualitatively the phase behavior of polymer blends, but quantitative predictions of the critical solution temperatures es are not achieved The GC-Flory equation of state fails to predict the upper critical solution behavior in polymer blends.

U2 - 10.1002/aic.690421117

DO - 10.1002/aic.690421117

M3 - Journal article

VL - 42

SP - 3170

EP - 3180

JO - A I Ch E Journal

JF - A I Ch E Journal

SN - 0001-1541

IS - 11

ER -

Vassilis H, van Bergen ARD, Goncalves AS, Kontogeorgis G, Fredenslund A, Dimitrios T. Miscibility of polymer blends with engineering models. A I Ch E Journal. 1996;42(11):3170-3180. https://doi.org/10.1002/aic.690421117