Application of sPC-SAFT and group contribution sPC-SAFT to polymer systems-Capabilities and limitations

Amra Tihic; Nicolas von Solms; Michael Locht Michelsen; Georgios Kontogeorgis; L. Constantinou

doi:10.1016/j.fluid.2009.04.002

Application of sPC-SAFT and group contribution sPC-SAFT to polymer systems-Capabilities and limitations

Amra Tihic, Nicolas von Solms, Michael Locht Michelsen, Georgios Kontogeorgis, L. Constantinou

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

A group contribution (GC) version of the simplified Perturbed-Chain Statistical Associating Fluid Theory (sPC-SAFT) Equation of State is proposed in a previous work [A. Tihic, G.M. Kontogeorgis, N. von Solms, M.L. Michelsen, L Constantinou, Ind. Eng. Chem. Res. 47 (2008) 5092-5101]. The reported predictive capability of the model demonstrates satisfactory description of the fluid behaviour of several polymer systems, including both vapour-liquid equilibria and liquid-liquid equilibria. This work continues the systematic study on phase behaviour of polymer systems with the two versions of the sPC-SAFT model, with and without GC. The reported results contribute to a better understanding of the applicability of the sPC-SAFT model to binary polymer mixtures, and identify both models as good predictive tools for several industrial applications. Limitations are also identified and discussed.

Original language	English
Journal	Fluid Phase Equilibria
Volume	281
Issue number	1
Pages (from-to)	70-77
ISSN	0378-3812
DOIs	https://doi.org/10.1016/j.fluid.2009.04.002
Publication status	Published - 2009

Keywords

PC-SAFT
Phase equilibria
Polymers
Equation of State

Access to Document

10.1016/j.fluid.2009.04.002

Cite this

Tihic, A., von Solms, N., Michelsen, M. L., Kontogeorgis, G., & Constantinou, L. (2009). Application of sPC-SAFT and group contribution sPC-SAFT to polymer systems-Capabilities and limitations. Fluid Phase Equilibria, 281(1), 70-77. https://doi.org/10.1016/j.fluid.2009.04.002

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title = "Application of sPC-SAFT and group contribution sPC-SAFT to polymer systems-Capabilities and limitations",

abstract = "A group contribution (GC) version of the simplified Perturbed-Chain Statistical Associating Fluid Theory (sPC-SAFT) Equation of State is proposed in a previous work [A. Tihic, G.M. Kontogeorgis, N. von Solms, M.L. Michelsen, L Constantinou, Ind. Eng. Chem. Res. 47 (2008) 5092-5101]. The reported predictive capability of the model demonstrates satisfactory description of the fluid behaviour of several polymer systems, including both vapour-liquid equilibria and liquid-liquid equilibria. This work continues the systematic study on phase behaviour of polymer systems with the two versions of the sPC-SAFT model, with and without GC. The reported results contribute to a better understanding of the applicability of the sPC-SAFT model to binary polymer mixtures, and identify both models as good predictive tools for several industrial applications. Limitations are also identified and discussed.",

keywords = "PC-SAFT, Phase equilibria, Polymers, Equation of State",

author = "Amra Tihic and {von Solms}, Nicolas and Michelsen, {Michael Locht} and Georgios Kontogeorgis and L. Constantinou",

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T1 - Application of sPC-SAFT and group contribution sPC-SAFT to polymer systems-Capabilities and limitations

AU - Tihic, Amra

AU - von Solms, Nicolas

AU - Michelsen, Michael Locht

AU - Kontogeorgis, Georgios

AU - Constantinou, L.

PY - 2009

Y1 - 2009

N2 - A group contribution (GC) version of the simplified Perturbed-Chain Statistical Associating Fluid Theory (sPC-SAFT) Equation of State is proposed in a previous work [A. Tihic, G.M. Kontogeorgis, N. von Solms, M.L. Michelsen, L Constantinou, Ind. Eng. Chem. Res. 47 (2008) 5092-5101]. The reported predictive capability of the model demonstrates satisfactory description of the fluid behaviour of several polymer systems, including both vapour-liquid equilibria and liquid-liquid equilibria. This work continues the systematic study on phase behaviour of polymer systems with the two versions of the sPC-SAFT model, with and without GC. The reported results contribute to a better understanding of the applicability of the sPC-SAFT model to binary polymer mixtures, and identify both models as good predictive tools for several industrial applications. Limitations are also identified and discussed.

AB - A group contribution (GC) version of the simplified Perturbed-Chain Statistical Associating Fluid Theory (sPC-SAFT) Equation of State is proposed in a previous work [A. Tihic, G.M. Kontogeorgis, N. von Solms, M.L. Michelsen, L Constantinou, Ind. Eng. Chem. Res. 47 (2008) 5092-5101]. The reported predictive capability of the model demonstrates satisfactory description of the fluid behaviour of several polymer systems, including both vapour-liquid equilibria and liquid-liquid equilibria. This work continues the systematic study on phase behaviour of polymer systems with the two versions of the sPC-SAFT model, with and without GC. The reported results contribute to a better understanding of the applicability of the sPC-SAFT model to binary polymer mixtures, and identify both models as good predictive tools for several industrial applications. Limitations are also identified and discussed.

KW - PC-SAFT

KW - Phase equilibria

KW - Polymers

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