Swelling and solvent uptake kinetic in electronic polymer encapsulations – Coupling PC-SAFT with Maxwell-Stefan approach

IF 2.8 3区 工程技术 Q3 CHEMISTRY, PHYSICAL Fluid Phase Equilibria Pub Date : 2025-02-18 DOI:10.1016/j.fluid.2025.114393
Stefan Wagner , Julija Strunčnik , Lara Schönbacher , Mario Gschwandl , Michael Fischlschweiger , Tim Zeiner
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Abstract

Various resins are commonly used for encapsulating electronic components across diverse applications, having the joint goal to prevent electronics to be contaminated with solvents from the environment. To mitigate the need for time-intensive experimental studies to analyses their long-term performance in terms of solvent uptake and swelling, computational simulations offer a promising path. This work presents a modeling approach where PC-SAFT (Perturbed Chain Statistical Associating Fluid Theory) is combined with the Maxwell-Stefan framework for simulating the solvent uptake and swelling behavior of silicone, polyurethane, and phenolic resins in various mixtures. The simulation-based results are validated via solvent uptake experiments, where the following solvents, water, heptane, isopropanol, methanol, and acetone are investigated. It turned out, that an excellent agreement between experimental solvent uptake data and simulation-based prediction occurred, which supports the strength of coupling PC-SAFT with Maxwell-Stefan framework for enhanced.
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各种树脂通常用于封装各种应用中的电子元件,其共同目标是防止电子元件受到环境中溶剂的污染。为了减少分析其在溶剂吸收和溶胀方面的长期性能所需的时间密集型实验研究,计算模拟提供了一条大有可为的途径。这项研究提出了一种建模方法,将 PC-SAFT(扰动链统计关联流体理论)与麦克斯韦-斯特凡框架相结合,模拟硅树脂、聚氨酯树脂和酚醛树脂在各种混合物中的溶剂吸收和溶胀行为。模拟结果通过溶剂吸收实验进行了验证,实验研究了以下溶剂:水、庚烷、异丙醇、甲醇和丙酮。结果表明,溶剂吸收实验数据与基于模拟的预测结果非常吻合,这支持了将 PC-SAFT 与麦克斯韦-斯特凡框架耦合起来进行增强的优势。
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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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