| Universal Electrochemical／Chemical Simulator Based on an Exponentially Expanding Grid Network Approach |
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| 引用本文： | 邓兆祥,林祥钦,童中华.Universal Electrochemical／Chemical Simulator Based on an Exponentially Expanding Grid Network Approach[J].中国化学,2004,22(7):719-726. |
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| 作者姓名： | 邓兆祥 林祥钦 童中华 |
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| 作者单位： | DepartmentofChemistry,UniversityofScienceandTechnologyofChina,Hefei,Anhui230026,China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China (No. 20173054). |
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| 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.
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| 关 键 词： | 电气化学模拟 化学模拟 电极过程 指数展开栅格法 |
Universal Electrochemical/Chemical Simulator Based on an Exponentially Expanding Grid Network Approach |
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| DENG,Zhao-Xiang LIN,Xiang-Qin TONG,Zhong-Hua.Universal Electrochemical/Chemical Simulator Based on an Exponentially Expanding Grid Network Approach[J].Chinese Journal of Chemistry,2004,22(7):719-726. |
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| Authors: | DENG Zhao-Xiang LIN Xiang-Qin TONG Zhong-Hua |
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| Institution: | DENG,Zhao-Xiang LIN,Xiang-Qin TONG,Zhong-HuaDepartment of Chemistry,University of Science and Technology of China,Hefei,Anhui 230026,China |
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| Abstract: | 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. |
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| Keywords: | electrochemical simulator electrode process network approach exponentially expanding grid |
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