Tailoring polyamideimide and polyetherimide membrane characteristics by experimental and mesoscale model approach for selective gas separation

IF 4.1 2区化学 Q2 POLYMER SCIENCE

Polymer Pub Date : 2025-06-27 DOI:10.1016/j.polymer.2025.128734

Fahmi Anwar, Tarun S.S., G. Arthanareeswaran, Mangalaraja Ramalinga Viswanathan

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引用次数: 0

Abstract

Conventional gas separation techniques require substantial energy due to the complex molecular interactions involved. Polymer-derived carbon membranes stand out for their tunable pore structures and selective molecular sieving capabilities. This study investigates PAI/PEI-based membranes for gas separation, employing the Flory-Huggins model to analyze pore formation. PAI/PEI solutions were systematically varied from 0 to 100 wt.% to determine the optimal blend ratio. Subsequently, the pyrolysis behavior of these membranes was examined, with thermodynamic parameters χ = 2 and Np = 69, to target specific structures. Elemental analysis confirmed the presence of carbon, hydrogen, and nitrogen, which plays a crucial role in controlling membrane swelling and hydrophilicity. Contact angle measurements revealed a hydrophobic character, with a value of 75° for the carbon membrane pyrolyzed at 800°C. Notably, the 25/75 wt.% PAI/PEI blend, subjected to pyrolysis at 800°C, exhibited an asymmetric structure with a pore size of 3.7 Å, facilitating efficient gas permeation. This optimized membrane demonstrated promising performance for gas purification, further validated through mesoscale modeling. Additionally, this study explored the impact of pyrolysis parameters such as temperature, ramp rate, and blend concentration on the resulting membrane characteristics with modeling improving pore efficiency and saving resources. The top-surface morphology of the carbon membranes displayed a well-defined honeycomb structure with abundant pores, outperforming other blends and meeting industrial gas separation requirements through a strategically modeled membrane design. These findings provide a foundation for the scalable production of high-performance carbon membranes tailored for specific gas separation applications. The integration of experimental and modeling approaches offers a predictive framework for designing next-generation membrane systems.

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通过实验和中尺度模型方法裁剪聚酰胺酰亚胺和聚醚酰亚胺膜的选择性气体分离特性

由于涉及复杂的分子相互作用，传统的气体分离技术需要大量的能量。聚合物衍生的碳膜因其可调的孔结构和选择性分子筛选能力而脱颖而出。本研究研究了PAI/ pei基膜用于气体分离，采用Flory-Huggins模型分析孔隙形成。PAI/PEI溶液系统地从0到100 wt.%变化，以确定最佳的混合比例。随后，在热力学参数χ = 2和Np = 69下，研究了这些膜的热解行为，以确定特定的结构。元素分析证实了碳、氢和氮的存在，它们在控制膜膨胀和亲水性方面起着至关重要的作用。接触角测量结果表明，在800℃下热解的碳膜具有疏水性，接触角值为75°。值得注意的是，经过800℃热解，25/75 wt.% PAI/PEI共混物呈现出不对称结构，孔径为3.7 Å，有利于高效的气体渗透。该优化膜在气体净化方面表现出良好的性能，并通过中尺度模型进一步验证。此外，本研究还探讨了温度、斜坡速率、共混物浓度等热解参数对所得膜特性的影响，通过建模提高了孔隙效率，节约了资源。碳膜的上表面形貌呈现出明确的蜂窝结构，具有丰富的孔隙，优于其他共混物，并通过战略模拟的膜设计满足工业气体分离要求。这些发现为为特定气体分离应用量身定制的高性能碳膜的规模化生产奠定了基础。实验和建模方法的集成为设计下一代膜系统提供了预测框架。

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来源期刊

Polymer 化学-高分子科学

CiteScore

7.90

自引率

8.70%

发文量

959

审稿时长

32 days

期刊介绍： Polymer is an interdisciplinary journal dedicated to publishing innovative and significant advances in Polymer Physics, Chemistry and Technology. We welcome submissions on polymer hybrids, nanocomposites, characterisation and self-assembly. Polymer also publishes work on the technological application of polymers in energy and optoelectronics. The main scope is covered but not limited to the following core areas: Polymer Materials Nanocomposites and hybrid nanomaterials Polymer blends, films, fibres, networks and porous materials Physical Characterization Characterisation, modelling and simulation* of molecular and materials properties in bulk, solution, and thin films Polymer Engineering Advanced multiscale processing methods Polymer Synthesis, Modification and Self-assembly Including designer polymer architectures, mechanisms and kinetics, and supramolecular polymerization Technological Applications Polymers for energy generation and storage Polymer membranes for separation technology Polymers for opto- and microelectronics.