Universal Electrochemical/Chemical Simulator Based on an Exponentially Expanding Grid Network Approach

作     者：邓兆祥 林祥钦 童中华 

作者机构：Department of Chemistry University of Science and Technology of China Hefei Anhui 230026 China 

出 版 物：《Chinese Journal of Chemistry》 (中国化学（英文版）)

年 卷 期：2004年第22卷第7期

页      面：719-726页

核心收录：

学科分类：081704[工学-应用化学] 08[工学] 0817[工学-化学工程与技术] 

基　　金：Project supported by the National Natural Science Foundation of China (No. 20173054) 

主　　题：electrochemical simulator electrode process network approach exponentially expanding grid 

摘      要：A universal simulator capable of simulating virtually any user-defined electrochemical/chemical problems in one-dimensional diffusion geometry was developed based on an exponentially expanding grid modification of the existing network approach. Some generalized reaction-diffusion governing equations of an arbitrary electrochemical/chemical process were derived, and program controlled automatic generation of the corresponding PSPICE netlist file was realized. On the basis of the above techniques, a universal simulator package was realized, which is capable of dealing with arbitrarily complex electrochemical/chemical problems with one-dimensional diffusion geometry such as planar diffusion, spherical diffusion, cylindrical diffusion and rotational disk diffusion-convection processes. The building of such a simulator is easy and thus it would be very convenient to have it updated for simulations of newly raised electrochemical problems.