Improvement of predictive accuracy of the UNIFAC model for vapor-liquid equilibria of polymer solutions

Chongli Zhong; Yoshiyuki Sato; Hirokatsu Masuoka; Xiaoning Chen

doi:10.1016/0378-3812(96)03010-5

Improvement of predictive accuracy of the UNIFAC model for vapor-liquid equilibria of polymer solutions

Chongli Zhong, Yoshiyuki Sato, Hirokatsu Masuoka, Xiaoning Chen

Research output: Contribution to journal › Article › peer-review

49 Citations (Scopus)

Abstract

The UNIFAC model is extended to the prediction of vapor-liquid equilibria of polymer solutions using a proposed relation between the volume parameter r(n) for an n-mer polymer and that r(1) for the monomer. The modified UNIFAC model does not require a free-volume term as does the UNIFAC-FV model. As a result, no additional information is needed for the vapor-liquid equilibria Eq. (1a) calculation of polymer solutions other than the original UNIFAC group parameters. For 51 binary polymer-solvent systems, the total average absolute deviation of solvent activities in polymer solutions was 6.8% for the modified UNIFAC model versus 7.4% for the UNIFAC-FV model and 18.7% for the original UNIFAC model.

Original language	English
Pages (from-to)	97-106
Number of pages	10
Journal	Fluid Phase Equilibria
Volume	123
Issue number	1-2
DOIs	https://doi.org/10.1016/0378-3812(96)03010-5
Publication status	Published - 1996 Aug 15
Externally published	Yes

Keywords

Excess function
Polymer solution
UNIFAC model
Vapor-liquid equilibria

ASJC Scopus subject areas

Chemical Engineering(all)
Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/0378-3812(96)03010-5

Cite this

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title = "Improvement of predictive accuracy of the UNIFAC model for vapor-liquid equilibria of polymer solutions",

abstract = "The UNIFAC model is extended to the prediction of vapor-liquid equilibria of polymer solutions using a proposed relation between the volume parameter r(n) for an n-mer polymer and that r(1) for the monomer. The modified UNIFAC model does not require a free-volume term as does the UNIFAC-FV model. As a result, no additional information is needed for the vapor-liquid equilibria Eq. (1a) calculation of polymer solutions other than the original UNIFAC group parameters. For 51 binary polymer-solvent systems, the total average absolute deviation of solvent activities in polymer solutions was 6.8% for the modified UNIFAC model versus 7.4% for the UNIFAC-FV model and 18.7% for the original UNIFAC model.",

keywords = "Excess function, Polymer solution, UNIFAC model, Vapor-liquid equilibria",

author = "Chongli Zhong and Yoshiyuki Sato and Hirokatsu Masuoka and Xiaoning Chen",

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T1 - Improvement of predictive accuracy of the UNIFAC model for vapor-liquid equilibria of polymer solutions

AU - Zhong, Chongli

AU - Sato, Yoshiyuki

AU - Masuoka, Hirokatsu

AU - Chen, Xiaoning

PY - 1996/8/15

Y1 - 1996/8/15

N2 - The UNIFAC model is extended to the prediction of vapor-liquid equilibria of polymer solutions using a proposed relation between the volume parameter r(n) for an n-mer polymer and that r(1) for the monomer. The modified UNIFAC model does not require a free-volume term as does the UNIFAC-FV model. As a result, no additional information is needed for the vapor-liquid equilibria Eq. (1a) calculation of polymer solutions other than the original UNIFAC group parameters. For 51 binary polymer-solvent systems, the total average absolute deviation of solvent activities in polymer solutions was 6.8% for the modified UNIFAC model versus 7.4% for the UNIFAC-FV model and 18.7% for the original UNIFAC model.

AB - The UNIFAC model is extended to the prediction of vapor-liquid equilibria of polymer solutions using a proposed relation between the volume parameter r(n) for an n-mer polymer and that r(1) for the monomer. The modified UNIFAC model does not require a free-volume term as does the UNIFAC-FV model. As a result, no additional information is needed for the vapor-liquid equilibria Eq. (1a) calculation of polymer solutions other than the original UNIFAC group parameters. For 51 binary polymer-solvent systems, the total average absolute deviation of solvent activities in polymer solutions was 6.8% for the modified UNIFAC model versus 7.4% for the UNIFAC-FV model and 18.7% for the original UNIFAC model.

KW - Excess function

KW - Polymer solution

KW - UNIFAC model

KW - Vapor-liquid equilibria

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Improvement of predictive accuracy of the UNIFAC model for vapor-liquid equilibria of polymer solutions

Abstract

Keywords

ASJC Scopus subject areas

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