Numerical Modeling and Simulation of the Nonisothermal Double Quench Phase Separation Process for the Production of Polymeric Membranes Using Polystyrene-Cyclohexanol Polymer Solution

IF 1.8 4区 工程技术 Q3 POLYMER SCIENCE Macromolecular Theory and Simulations Pub Date : 2024-04-29 DOI:10.1002/mats.202400022
Samira Ranjbarrad, Philip K. Chan
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Abstract

The double quench phase separation is a simplified type of continuous cooling process that is widely seen in industrial processes for polymeric membrane formation. Uncommon quenching conditions can lead to the creation of novel membrane microstructures. This study aims to theoretically investigate the impact of nonisothermality on the morphology formation during the double-quench thermally-induced phase separation process. First, quench is employed during different stages of phase separation to observe the possibility of secondary morphology formation. Next, two initial quench temperatures are selected, one shallow and the other deep. The initial solution temperature and the secondary quench temperature are kept constant to inspect the impact of the initial quench temperature on the structure formation. Lastly, the results of the secondary quench are compared with and without employing the enthalpy of demixing. Results verified that the stage of phase separation, the initial and secondary quench temperatures, cooling rate, and the secondary quench composition are the most important parameters in the the nonisothermal double quench phase separation process. The morphology should be well-developed in order for the secondary structure formation. In addition, it is shown that heat generation during demixing in the primary and secondary quenches significantly influences the secondary morphology formation.

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利用聚苯乙烯-环己醇聚合物溶液生产聚合物膜的非等温双淬火相分离过程的数值建模与模拟
双淬火相分离是一种简化的连续冷却工艺,广泛应用于形成聚合物膜的工业工艺中。不常见的淬火条件可导致新型膜微结构的产生。本研究旨在从理论上研究双淬火热致相分离过程中的非等温性对形态形成的影响。首先,在相分离的不同阶段采用淬火,以观察二次形貌形成的可能性。接着,选择了两个初始淬火温度,一个是浅淬火温度,另一个是深淬火温度。初始溶液温度和二次淬火温度保持不变,以检测初始淬火温度对结构形成的影响。最后,比较了采用和不采用脱混焓的二次淬火结果。结果证实,相分离阶段、初始和二次淬火温度、冷却速率和二次淬火成分是非等温双淬火相分离过程中最重要的参数。要形成二次结构,形态必须发育良好。此外,研究还表明,一次淬火和二次淬火的脱混过程中产生的热量对二次形态的形成有很大影响。
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来源期刊
Macromolecular Theory and Simulations
Macromolecular Theory and Simulations 工程技术-高分子科学
CiteScore
3.00
自引率
14.30%
发文量
45
审稿时长
2 months
期刊介绍: Macromolecular Theory and Simulations is the only high-quality polymer science journal dedicated exclusively to theory and simulations, covering all aspects from macromolecular theory to advanced computer simulation techniques.
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