文献类型：期刊文献

英文题名：In-situ enforcing molecular diffusion to functionalize hollow fiber carbon membranes enables efficient CO2 separations

作者：Wang, Kaixin[1];Liu, Changwei[1];Chen, Xingyu[1];Fang, Chuning[1];Wang, Yixing[2];Lian, Cheng[1];Lei, Linfeng[1,2];Xu, Zhi[1]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]Suzhou Lab, Suzhou 215100, Peoples R China

年份：2024

卷号：708

外文期刊名：JOURNAL OF MEMBRANE SCIENCE

收录：;EI(收录号：20242616441426);WOS:【SCI-EXPANDED(收录号:WOS:001262850900001)】；

基金：This study was supported by the National Key Research & Development Program of China (2021YFB3801301 and 2022YFB3805503), the National Natural Science Foundation of China (22208096), the Shanghai Pujiang Program (21PJ1401900), and the Shanghai Pilot Program for Basic Research (22TQ1400100-4).

语种：英文

外文关键词：Microporous carbon membranes; CO2 capture; CO2 separation; Molecular functionalization

摘要：Microporous carbon membranes with tunable micropores are attractive materials for CO2 separations. Tailoring the gas transport channels is an effective strategy to achieve high separation performance, while it remains challenging due to the lack of control over sub-nanopores. Herein, we present an in-situ molecular functionalization strategy wherein the confined sub-nanopore properties are designed by enforcing molecules to diffuse over pores and functionalize the pore affinity. By enforcing oxygen-functionalization, a strong CO2 affinity between the carbon matrix and CO2 molecules is generated, which facilitated CO2 transport, thereby enhancing the CO2 permeability by similar to 4.7-fold and without sacrificing molecular sieving ability for gas mixtures, like CO2/N-2 and CO2/CH4. The functionalization mechanism was confirmed using reactive force field molecular dynamics (ReaxFF-MD) simulations. Furthermore, this strategy, which was directly applied to hollow fiber membrane modules, provides a facile and scalable approach, and expands the currently limited library of penetrative micropore tailoring of microporous membranes.