多尺度模拟方法及相关软件在电化学教学中的应用  

Application of Multiscale Simulation Methods and Softwares in Electrochemical Teaching

作　　者：练成 黄凯 王玉琳 苏海萍 徐首红[1] 刘洪来[1] Lian Cheng;Huang Kai;Wang Yulin;Su Haiping;Xu Shouhong;Liu Honglai(School of Chemistry and Molecular Engineering,East China University of Science and Technology,Shanghai 200237,China)

机构地区：[1]华东理工大学化学与分子工程学院,上海200237

出　　处：《化工高等教育》2023年第4期89-98,共10页Higher Education in Chemical Engineering

摘　　要：电化学中涉及很多微观、介观和宏观等尺度复杂问题,学生往往难以理解。在实际教学中,教师可以运用多尺度模拟方法来讲解实际电化学过程中的多尺度问题,使学生更加直观地理解和掌握所学内容;同时在课程中引入模拟软件,全面培养学生的设计和实践能力。文章主要从微观、介观和宏观尺度介绍了量子化学模拟、分子动力学模拟和连续介质模型及Materials Studio、COMSOL Multiphysics等相关软件在电化学教学中的应用,以帮助学生深入理解不同尺度上的电化学问题,提高教学质量和效率。Electrochemistry involves many complicated multi-scale problems,which are difficult to understand for students.Applying multiscale simulation method to explain the problems in the actual electrochemical process,which can help students to understand and master the teaching content intuitively.Moreover,the introduction of simulation software into teaching can comprehensively cultivate the design and practice ability of students.In this paper,the quantum chemical simulation,molecular dynamics simulation and continuum model and related software,such as Materials Studio and COMSOL Multiphysics,are introduced into the electrochemical teaching.We aim to help students deeply understand the contents of electrochemical curriculum at different scales,and improve the quality and efficiency of teaching.

关 键 词：电化学教学 多尺度 模拟软件 实际应用 教学创新 

分 类 号：O646-4[理学—物理化学] G642[理学—化学]