电化学过程的非平衡态热力学  

Nonequilibrium thermodynamics of electrochemical processes

作　　者：陶浩兰 俞婷婷 朱梦 练成[1,2] 刘洪来 Haolan Tao;Tingting Yu;Meng Zhu;Cheng Lian;Honglai Liu(State Key Laboratory of Chemical Engineering and Shanghai Engineering Research Center of Hierarchical Nanomaterials,School of Chemical Engineering,East China University of Science and Technology,Shanghai 200237,China;School of Chemistry and Molecular Engineering,East China University of Science and Technology,Shanghai 200237,China)

机构地区：[1]化学工程联合国家重点实验室,华东理工大学化工学院,上海200237 [2]华东理工大学化学与分子工程学院,上海200237

出　　处：《中国科学：化学》2022年第5期668-677,共10页SCIENTIA SINICA Chimica

基　　金：国家自然科学基金(编号:91834301,21808055,22078088)资助项目。

摘　　要：电化学能源储存和转化过程涉及电解质在多孔电极和隔膜内的传递和反应.理解其中的微观性质和耦合机制对于电解质的筛选、电解液/电极界面的优化以及多孔电极的设计都具有重要意义.此时,我们的研究对象处在微米乃至纳米尺度,并涉及电场、流场和温度场等多个物理场的相互耦合,传统的电化学热力学和动力学理论以及实验技术都难以描述微纳尺度下多物理场中的电化学传递和反应特性,所以亟需发展新的建模方法.本文基于线性非平衡态热力学,提出了一个以化学势驱动的描述电化学传递和反应过程的多物理场建模方法,并从电场下的传质过程、反应和传递耦合以及热效应这三个典型问题阐述了该方法的可行性和理论价值.Electrochemical energy storage and conversion involve the transport and reaction of electrolytes in the porous electrodes and membranes.Understanding the microscopic and coupling mechanisms plays a crucial role in guiding the screening of electrolytes and electrode materials,as well as the design of the electrode-electrolyte interface.However,exploring the micro-or even nano-scale phenomena and the coupling effects of multi-physical fields through traditional electrochemical thermodynamics and kinetics theory and experimental techniques remains a challenge,which requires a novel modeling approach.In this review,based on non-equilibrium thermodynamics,a multi-physics-coupled modeling approach for electrochemical processes is proposed,and the feasibility and theoretical value of this approach are illustrated from three typical problems:mass transfer under electrical field,reaction and transport processes,and thermal effect.

关 键 词：电化学过程 非平衡态热力学 多物理场建模方法 传递和反应 

分 类 号：O646[理学—物理化学] O642.1[理学—化学]