Solvent Diffusion Modeling in Silicone

Stefan Wagner, Roland Nagl, Alexander Weissensteiner, Julija Struncnik, Lara Schönbacher, Mario Gschwandl, Michael Fischlschweiger, Tim Zeiner*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The diffusion of solvents into a polymer matrix is critical in various applications such as medicine and electronic coatings. Previously, one-dimensional modeling of solvent diffusion in a highly cross-linked epoxy resin was successfully established using the PC-SAFT approach. This study extends the approach to consider all spatial dimensions for silicone to validate the applicability of the model to different polymers. As a result, it is now possible to take all geometric aspects into account when modeling solvent uptake using an equation of state. The extended model shows improved correlations between experimental data and swelling curves compared to the established one-dimensional model. In addition, the Maxwell-Stefan diffusion coefficient was found to be highly susceptible to overestimation when only one dimension is considered. The temperature dependence of the diffusion coefficient was taken into account and, for the first time, the drying of a polymer sample was modeled from the swelling results using the developed model.
Original languageEnglish
Pages (from-to)472–481
JournalJournal of Chemical & Engineering Data
Volume69
Issue number2
DOIs
Publication statusE-pub ahead of print - 24 Oct 2023

Keywords

  • Maxwell-Stefan Diffusion
  • PC-SAFT
  • Polymer Thermodynamics
  • Drying
  • Swelling

ASJC Scopus subject areas

  • Fluid Flow and Transfer Processes

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