Solubility of Acetone-Methanol Mixtures in Matrimid Glassy Polymer: Experimental Data and Modelling through NET-GP and PC-SAFT

IF 2.7 3区 工程技术 Q3 CHEMISTRY, PHYSICAL Fluid Phase Equilibria Pub Date : 2025-02-04 DOI:10.1016/j.fluid.2025.114362
Lorenzo Merlonghi, Ferruccio Doghieri, Marco Giacinti Baschetti
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Abstract

In this work, the PC-SAFT equation of state and the NET-GP approach have been considered for the description of the thermodynamic equilibrium between liquid acetone-methanol mixture and Matrimid glassy polymer. Pure component parameters of the PC-SAFT EoS for the system under consideration were retrieved from literature and checked by predicting the vapor pressure and saturated molar volumes of both Methanol and Acetone. Considering the binary mixture, isothermal VLE data at 35°C were fitted by using PC-SAFT, in order to derive binary interaction coefficients, the latter then proved to be able to correctly describe also the volume of the liquid mixture at 35°C and 1 bar. Considering the binary Acetone-Matrimid and Methanol-Matrimid systems, binary interaction and swelling coefficients needed for the description of the glassy phase were retrieved by fitting pure component vapor sorption isotherms at 35°C through the NET-GP approach coupled with PC-SAFT equation of state. Finally, based on the parameters obtained from the binary mixtures, the ternary Acetone-Methanol-Matrimid system at 35°C and 1 bar was predicted, without using additional parameters. The results were compared with experimental data related to liquid sorption in the polymer as obtained by coupling FTIR-ATR analysis and gravimetric methods. The agreement was remarkable testifying to the ability of the proposed approach to describe sorption of binary mixtures involving hydrogen bonding compounds in glassy polymers.
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丙酮-甲醇混合物在基质玻璃聚合物中的溶解度:实验数据和基于NET-GP和PC-SAFT的建模
本文采用PC-SAFT状态方程和NET-GP方法来描述液态丙酮-甲醇混合物与基质玻璃聚合物之间的热力学平衡。从文献中检索了PC-SAFT EoS的纯组分参数,并通过预测甲醇和丙酮的蒸汽压和饱和摩尔体积进行了检查。考虑到二元混合物,采用PC-SAFT拟合了35℃下的等温VLE数据,以推导二元相互作用系数,后者也被证明能够正确描述35℃和1 bar时液体混合物的体积。考虑二元丙酮-基质体系和甲醇-基质体系,采用NET-GP方法结合PC-SAFT状态方程拟合35℃下的纯组分蒸汽吸附等温线,获得描述玻璃相所需的二元相互作用和膨胀系数。最后,根据二元混合物的参数,在不使用其他参数的情况下,对35℃、1 bar条件下丙酮-甲醇-基质三元体系进行了预测。结果与FTIR-ATR分析和重量法耦合得到的聚合物中液体吸附的实验数据进行了比较。该协议是显著的证明了所提出的方法的能力,以描述吸附二元混合物涉及氢键化合物在玻璃聚合物。
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来源期刊
Fluid Phase Equilibria
Fluid Phase Equilibria 工程技术-工程:化工
CiteScore
5.30
自引率
15.40%
发文量
223
审稿时长
53 days
期刊介绍: Fluid Phase Equilibria publishes high-quality papers dealing with experimental, theoretical, and applied research related to equilibrium and transport properties of fluids, solids, and interfaces. Subjects of interest include physical/phase and chemical equilibria; equilibrium and nonequilibrium thermophysical properties; fundamental thermodynamic relations; and stability. The systems central to the journal include pure substances and mixtures of organic and inorganic materials, including polymers, biochemicals, and surfactants with sufficient characterization of composition and purity for the results to be reproduced. Alloys are of interest only when thermodynamic studies are included, purely material studies will not be considered. In all cases, authors are expected to provide physical or chemical interpretations of the results. Experimental research can include measurements under all conditions of temperature, pressure, and composition, including critical and supercritical. Measurements are to be associated with systems and conditions of fundamental or applied interest, and may not be only a collection of routine data, such as physical property or solubility measurements at limited pressures and temperatures close to ambient, or surfactant studies focussed strictly on micellisation or micelle structure. Papers reporting common data must be accompanied by new physical insights and/or contemporary or new theory or techniques.
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