文献类型：期刊文献

英文题名：Dynamical coupling of ion adsorption with fluid flow in nanopores

作者：Zhao, Teng[1,2];Qing, Leying[1,2];Long, Ting[1,2];Xu, Xiaofei[1,2];Zhao, Shuangliang[1,2,3,4];Lu, Xiaohua[5]

机构：[1]East China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Sch Chem Engn, Shanghai 200237, Peoples R China;[3]Guangxi Univ, Guangxi Key Lab Petrochem Resource Proc & Proc In, Nanning, Peoples R China;[4]Guangxi Univ, Sch Chem & Chem Engn, Nanning, Peoples R China;[5]Nanjing Tech Univ, Coll Chem Engn, State Key Lab Mat Oriented Chem Engn, Nanjing, Peoples R China

年份：2021

卷号：67

期号：7

外文期刊名：AICHE JOURNAL

收录：;EI(收录号：20211710247695);WOS:【SCI-EXPANDED(收录号:WOS:000640923700001)】；

基金：the Dean Project of Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology, Grant/Award Number: 2020Z002; National Natural Science Foundation of China, Grant/Award Numbers: 91934302, 21878078

语种：英文

外文关键词：adsorption dynamics; fluid flow; coupling effect; nonequilibrium molecular model; competition relation

摘要：To describe the commonly existing coupling between adsorption dynamics and fluid flow, a nonequilibrium molecular model is developed, upon which we systematically investigate the dynamical adsorption of ionic components from confined flows onto the charged surfaces of nanoscale pores, and find that a competition relation exists between the adsorption and flow. Promoting flow speed suppresses the adsorption amount, while enhancing adsorption strength reduces the flow speed. With the increase of flow speed, the contact density of co-ion is enhanced while that of counterion is suppressed, leading to overall enhanced accumulation charge densities at pore surfaces. Besides, the accumulation charge density increases monotonically with the applied voltage in large pores, while displays a nontrivial relation with the applied voltage in small pores of several ion sizes. This work not only extends the theoretical framework of nonequilibrium molecular theories, but also provides novel insights into the regulation of interfacial dynamic processes.