Modeling Highly Cross-Linked Epoxy Resins in Solvents of Different Polarities with PC-SAFT

Patrick Krenn; Patrick Zimmermann; Michael Fischlschweiger; Tim Zeiner

doi:10.1021/acs.iecr.9b06499

Modeling Highly Cross-Linked Epoxy Resins in Solvents of Different Polarities with PC-SAFT

Patrick Krenn, Patrick Zimmermann, Michael Fischlschweiger, Tim Zeiner^*

^*Corresponding author for this work

Institute of Chemical Engineering and Environmental Technology (6670)

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

Abstract

The solvent uptake in equilibrium of a highly cross-linked epoxy o-cresol novolac resin in water, isopropanol, and heptane was experimentally measured and modeled with the perturbed-chain statistical association fluid theory (PC-SAFT) equation of state. As suggested in the literature, PC-SAFT was combined with a network term, which takes additional elastic forces into account. The model parameters of the epoxy resin were generated by fitting them to the measured solvent uptake in pure substances and to the density of the epoxy resin, which provided a very good agreement with the experimental data. Furthermore, the solvent uptake in the mixtures isopropanol/water and isopropanol/heptane was predicted in very good agreement to the experimental data. For the first time, a thermodynamic model was developed to calculate the solvent uptake in an epoxy resin.

Original language	English
Pages (from-to)	5133-5141
Number of pages	9
Journal	Industrial and Engineering Chemistry Research
Volume	59
Issue number	11
DOIs	https://doi.org/10.1021/acs.iecr.9b06499
Publication status	Published - 18 Mar 2020

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Industrial and Manufacturing Engineering

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title = "Modeling Highly Cross-Linked Epoxy Resins in Solvents of Different Polarities with PC-SAFT",

abstract = "The solvent uptake in equilibrium of a highly cross-linked epoxy o-cresol novolac resin in water, isopropanol, and heptane was experimentally measured and modeled with the perturbed-chain statistical association fluid theory (PC-SAFT) equation of state. As suggested in the literature, PC-SAFT was combined with a network term, which takes additional elastic forces into account. The model parameters of the epoxy resin were generated by fitting them to the measured solvent uptake in pure substances and to the density of the epoxy resin, which provided a very good agreement with the experimental data. Furthermore, the solvent uptake in the mixtures isopropanol/water and isopropanol/heptane was predicted in very good agreement to the experimental data. For the first time, a thermodynamic model was developed to calculate the solvent uptake in an epoxy resin.",

author = "Patrick Krenn and Patrick Zimmermann and Michael Fischlschweiger and Tim Zeiner",

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AU - Krenn, Patrick

AU - Zimmermann, Patrick

AU - Fischlschweiger, Michael

AU - Zeiner, Tim

PY - 2020/3/18

Y1 - 2020/3/18

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AB - The solvent uptake in equilibrium of a highly cross-linked epoxy o-cresol novolac resin in water, isopropanol, and heptane was experimentally measured and modeled with the perturbed-chain statistical association fluid theory (PC-SAFT) equation of state. As suggested in the literature, PC-SAFT was combined with a network term, which takes additional elastic forces into account. The model parameters of the epoxy resin were generated by fitting them to the measured solvent uptake in pure substances and to the density of the epoxy resin, which provided a very good agreement with the experimental data. Furthermore, the solvent uptake in the mixtures isopropanol/water and isopropanol/heptane was predicted in very good agreement to the experimental data. For the first time, a thermodynamic model was developed to calculate the solvent uptake in an epoxy resin.

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Modeling Highly Cross-Linked Epoxy Resins in Solvents of Different Polarities with PC-SAFT

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