Title

Phase behavior of mixtures involving glassy materials

Document Type

Article

Date of Original Version

4-6-2020

Abstract

Many glassy materials decompose at higher temperatures and do not have a critical state. This forces researchers who use equations of state (EOS) that require a critical state to create fictitious critical properties. Understanding the thermo-mechanical and physical properties as well as the phase behavior of these materials is extremely important in the successful design of devices, laminates and green solvents, in oil exploration, transportation and processing, etc. The approach proposed in this work uses the glass transition temperature for glassy components, instead a fictitious critical state, within the multi-scale Gibbs-Helmholtz Constrained (GHC) cubic EOS framework to calculate thermo-physical properties and phase equilibrium. The approach is rigorous, self-consistent, and does not require model parameters to be regressed to experimental data. The main features of the proposed modeling framework for glassy materials are described and two examples of mixtures involving glassy materials are presented to elucidate key ideas.

Publication Title

Computers and Chemical Engineering

Volume

135

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