sCPA状态方程在聚合物溶液中的应用

G.M Kontogeorgis , I.V Yakoumis , P.M Vlamos
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引用次数: 15

摘要

特定的相互作用,例如氢键,在许多工业上重要的聚合物体系中占主导地位,包括聚合物溶液和共混物。典型的例子是水溶性聚合物,包括生物技术特别感兴趣的生物聚合物(例如,聚乙二醇/葡聚糖/水体系)。此外,大多数聚合物共混物是不相容的,对相容聚合物对的要求通常是存在氢键相互作用(例如聚氯乙烯/氯化聚乙烯)。在这项工作中,我们首先对现有的热力学模型进行了简短的比较评估,这些模型明确地考虑了像HB这样的特定相互作用。讨论了相平衡模型的适用范围及其具体特点(计算精度、复杂程度)。最后,用一种新颖的、非常有前途的模型计算了许多聚合物+溶剂体系(包括五种不同的聚合物)的气液平衡(VLE)。这个模型是一个状态方程的形式,它(在其一般公式中)是非立方的体积,并且对物理和化学相互作用有单独的项。该模型是最近提出的,并已成功地应用于非聚合氢键系统(醇/水/碳氢化合物)。这是第一次将其扩展到聚合物溶液中。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Application of the sCPA equation of state for polymer solutions

Specific interactions, for example hydrogen bonding, dominate in numerous industrially important polymeric systems, both polymer solutions and blends. Typical cases are water-soluble polymers including biopolymers of special interest to biotechnology (e.g. the system polyethyleneglycol/dextran/water). Furthermore, most polymer blends are non-compatible and the requirement for compatible polymer pairs is often the presence of hydrogen-bonding interactions (e.g. polyvinylchloride/chlorinated polyethylene). In this work we give at first a short, comparative evaluation of existing thermodynamic models suitable for polymeric systems that take into account, explicitly, specific interactions like HB. The range of application of the models in terms of phase equilibria and their specific characteristics (accuracy of calculation, degree of complexity) are discussed. Finally, vapor–liquid equilibria (VLE) calculations for a number of polymer+solvent systems (including five different polymers) with a novel and very promising model are presented. This model is in the form of an equation of state that is (in its general formulation) non-cubic with respect to volume and has separate terms for physical and chemical interactions. The model has recently been proposed and has already been successfully applied to non-polymeric hydrogen-bonding systems (alcohol/water/hydrocarbons). This is the first time that it is extended to polymer solutions.

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