文献类型：期刊文献

英文题名：Phase behavior of ionic fluid in charged confinement: An associating polymer density functional theory study

作者：Cheng, Jin[1,2];Xu, Jipeng[1,2];Wang, Sijie[1,2];Chen, Xueqian[3];Lian, Cheng[1,2];Liu, Honglai[1,2]

机构：[1]East China Univ Sci & Technol, Shanghai Engn Res Ctr Hierarch Nanomat, Frontiers Sci Ctr Materiobiol & Dynam Chem, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China;[3]East China Univ Sci & Technol, Sch Phys, Shanghai 200237, Peoples R China

年份：2024

卷号：70

期号：9

外文期刊名：AICHE JOURNAL

收录：;EI(收录号：20242416229562);WOS:【SCI-EXPANDED(收录号:WOS:001238766500001)】；

基金：State Key Laboratory of Clean Energy Utilization, Grant/Award Number:ZJUCEU2021005; National Key Research and Development Program of China, Grant/Award Number: 2022YFA1503501; Fundamental Research Funds for the Central Universities, Grant/Award Number: 2022ZFJH004; 21C Innovation Laboratory, Contemporary Amperex Technology Ltd, Grant/Award Number: 21C-368 OP-202312; National Natural Science Foundation of China, Grant/Award Number: 22278127

语种：英文

外文关键词：electrolyte; phase behavior; phase diagram; polymer density functional theory; porous electrode

摘要：With the rapid advancement of the new energy industry, porous electrode materials and complex electrolytes have gained widespread usage. Electrolytes exhibit distinctive phase behavior when subjected to the combined influence of confined space and electric fields. However, the measurement and prediction of such phase behavior encounter significant challenges. Consequently, numerous theoretical tools have been employed to establish models for phase equilibrium calculations. Nevertheless, current research in this field has notable limitations and fails to address the confinement of space or complex polymer electrolytes. Considering these shortcomings, an associating polymer density functional theory (PDFT) was developed by modifying excess free energy. This study examines the phase behavior of electrolytes with various chain lengths within diverse confined slits, revealing that the confinement effect and fluid tail chains can narrow the phase diagram. Additionally, a linear correlation between the electric field strength and the phase equilibrium offset has been identified, and a quantitative relationship is derived. The results of this investigation contribute to a deeper comprehension of complex fluid phase behavior and guide the design of electrochemical devices.