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膜的热力学和动力学分析:挑战与展望。

Thermodynamics and kinetic analysis of membrane: Challenges and perspectives.

机构信息

Advanced Membranes and Porous Materials Centre, Division of Physical Science and Engineering, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia.

Advanced Membranes and Porous Materials Centre, Division of Physical Science and Engineering, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia.

出版信息

Chemosphere. 2023 Oct;337:139430. doi: 10.1016/j.chemosphere.2023.139430. Epub 2023 Jul 6.

DOI:10.1016/j.chemosphere.2023.139430
PMID:37422221
Abstract

The ultimate structure of the membrane is determined using two important effects: (i) thermodynamic effect and (ii) kinetic effect. Controlling the mechanism of kinetic and thermodynamic processes in phase separation is essential for enhancing membrane performance. However, the relationship between system parameters and the ultimate membrane morphology is still largely empirical. This review focuses on the fundamental ideas behind thermally induced phase separation (TIPS) and nonsolvent-induced phase separation (NIPS) methods, including both kinetic and thermodynamic elements. The thermodynamic approach to understanding phase separation and the effect of different interaction parameters on membrane morphology has been discussed in detail. Furthermore, this review explores the capabilities and limitations of different macroscopic transport models used for the last four decades to explore the phase inversion process. The application of molecular simulations and phase field to understand phase separation has also been briefly examined. Finally, it discusses the thermodynamic approach to understanding phase separation and the consequence of different interaction parameters on membrane morphology, as well as possible directions for artificial intelligence to fill the gaps in the literature. This review aims to provide comprehensive knowledge and motivation for future modeling work for membrane fabrication via new techniques such as nonsolvent-TIPS, complex-TIPS, non-solvent assisted TIPS, combined NIPS-TIPS method, and mixed solvent phase separation.

摘要

最终的膜结构由两个重要的影响因素决定

(i)热力学效应和(ii)动力学效应。控制相分离过程中的动力学和热力学过程的机制对于提高膜性能至关重要。然而,系统参数与最终膜形态之间的关系在很大程度上仍然是经验性的。本综述重点介绍了热诱导相分离(TIPS)和非溶剂诱导相分离(NIPS)方法背后的基本原理,包括动力学和热力学要素。详细讨论了理解相分离的热力学方法以及不同相互作用参数对膜形态的影响。此外,本综述还探讨了过去四十年中用于探索相转化过程的不同宏观传输模型的能力和局限性。还简要研究了分子模拟和相场在理解相分离中的应用。最后,讨论了理解相分离的热力学方法以及不同相互作用参数对膜形态的影响,以及人工智能在填补文献空白方面的可能方向。本综述旨在为通过新技术(如非溶剂-TIPS、复杂-TIPS、非溶剂辅助 TIPS、组合 NIPS-TIPS 方法和混合溶剂相分离)制造膜的未来建模工作提供全面的知识和动力。

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