Polymer-Solvent Vapor-Liquid Equilibrium: Equations of State versus Activity Coefficient Models

Hasan Orbey; Costas P. Bokis; Chau Chyun Chen

doi:10.1021/ie970674r

Polymer-Solvent Vapor-Liquid Equilibrium: Equations of State versus Activity Coefficient Models

Hasan Orbey, Costas P. Bokis, Chau Chyun Chen

Chemical Engineering

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29 Scopus citations

Abstract

A Soave-Redlich-Kwong (SRK) cubic equation of state (EOS) combined with the Flory-Huggins activity coefficient (G^ex) model in a Huron-Vidal type (EOS + G^ex) mixing rule was used to correlate binary vapor-liquid equilibrium (VLE) of polymer-solvent mixtures. To extend the SRK EOS to pure polymers, suitable critical constants were selected based on available information for long-chain hydrocarbons. In mixture applications, the only binary interaction parameter, Χ of the Flory-Huggins model, was obtained from the infinite-dilution activity coefficient data of solvent in polymer, without using any experimental VLE information. The results show that this EOS + G^ex approach can represent polymer-solvent VLE accurately. It was also observed that Χ is much less temperature- and composition-dependent when the Flory-Huggins model is coupled with the SRK EOS than it is when used directly as an activity coefficient model.

Original language	English
Pages (from-to)	1567-1573
Number of pages	7
Journal	Industrial and Engineering Chemistry Research
Volume	37
Issue number	4
DOIs	https://doi.org/10.1021/ie970674r
State	Published - 1998

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Orbey, H., Bokis, C. P., & Chen, C. C. (1998). Polymer-Solvent Vapor-Liquid Equilibrium: Equations of State versus Activity Coefficient Models. Industrial and Engineering Chemistry Research, 37(4), 1567-1573. https://doi.org/10.1021/ie970674r

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title = "Polymer-Solvent Vapor-Liquid Equilibrium: Equations of State versus Activity Coefficient Models",

abstract = "A Soave-Redlich-Kwong (SRK) cubic equation of state (EOS) combined with the Flory-Huggins activity coefficient (Gex) model in a Huron-Vidal type (EOS + Gex) mixing rule was used to correlate binary vapor-liquid equilibrium (VLE) of polymer-solvent mixtures. To extend the SRK EOS to pure polymers, suitable critical constants were selected based on available information for long-chain hydrocarbons. In mixture applications, the only binary interaction parameter, Χ of the Flory-Huggins model, was obtained from the infinite-dilution activity coefficient data of solvent in polymer, without using any experimental VLE information. The results show that this EOS + Gex approach can represent polymer-solvent VLE accurately. It was also observed that Χ is much less temperature- and composition-dependent when the Flory-Huggins model is coupled with the SRK EOS than it is when used directly as an activity coefficient model.",

author = "Hasan Orbey and Bokis, {Costas P.} and Chen, {Chau Chyun}",

year = "1998",

doi = "10.1021/ie970674r",

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journal = "Industrial and Engineering Chemistry Research",

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T2 - Equations of State versus Activity Coefficient Models

AU - Orbey, Hasan

AU - Bokis, Costas P.

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PY - 1998

Y1 - 1998

N2 - A Soave-Redlich-Kwong (SRK) cubic equation of state (EOS) combined with the Flory-Huggins activity coefficient (Gex) model in a Huron-Vidal type (EOS + Gex) mixing rule was used to correlate binary vapor-liquid equilibrium (VLE) of polymer-solvent mixtures. To extend the SRK EOS to pure polymers, suitable critical constants were selected based on available information for long-chain hydrocarbons. In mixture applications, the only binary interaction parameter, Χ of the Flory-Huggins model, was obtained from the infinite-dilution activity coefficient data of solvent in polymer, without using any experimental VLE information. The results show that this EOS + Gex approach can represent polymer-solvent VLE accurately. It was also observed that Χ is much less temperature- and composition-dependent when the Flory-Huggins model is coupled with the SRK EOS than it is when used directly as an activity coefficient model.

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