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Phase Behavior of Mixtures Involving Glassy Materials
Computers & Chemical Engineering ( IF 4.3 ) Pub Date : 2020-01-31 , DOI: 10.1016/j.compchemeng.2020.106742
Angelo Lucia , Arthur S. Gow

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.



中文翻译:

涉及玻璃态材料的混合物的相行为

许多玻璃状材料在较高的温度下会分解,并且没有临界状态。这迫使使用状态方程(EOS)的研究人员需要一个临界状态来创建虚拟的临界性质。在设备,层压板和绿色溶剂的成功设计,石油勘探,运输和加工等方面的成功设计中,了解这些材料的热机械和物理特性以及相行为非常重要。

在这项工作中提出的方法是,在多尺度吉布斯-亥姆霍兹约束(GHC)立方EOS框架内,使用玻璃态组分的玻璃化转变温度,而不是虚拟临界状态来计算热物理性质和相平衡。该方法严格,自洽,并且不需要将模型参数回归到实验数据。描述了所提议的玻璃材料建模框架的主要特征,并给出了两个涉及玻璃材料的混合物示例,以阐明关键思想。

更新日期:2020-01-31
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