Application Progresses of Molecular Simulation Methodology in the Area of High Voltage Insulation
Li Qingmin1, Huang Xuwei2, Liu Tao2, Yan Jiangyan1, Wang Zhaodong1, Zhang Ying2, Lu Xu1
1. State Key Laboratory of Alternate Electrical Power System with Renewable Energy Source North China Electric Power University Beijing 102206 China; 2. Beijing Key Lab of HV and EMC North China Electric Power University Beijing 102206 China
Abstract：The paper reviewed three prevailing methodologies in molecular simulation, including quantum chemistry, molecular dynamics, and reactive force field, with a comparative analysis in terms of mathematical principles, development course and applicability. Based on the above reviews, the scientific significance of molecular simulation were elucidated from the perspectives of solid/fluid insulation properties of HV equipment as well as the development of new insulation materials, with a special emphasis on application potentials of the reactive force field in HV engineering. Molecular simulations may be utilized to carry out incisive research on the aging and deterioration processes of dielectric insulation under combined effects of electrical, magnetic, mechanical and thermal stresses, to predict the dielectric insulation properties such as polarization and power loss, as well as to effectively guide the development of new insulation materials. Therefore, molecular simulation presents fundamental methodology and quantitative analyzing technology as to reveal the micro-physical and chemical characteristics of dielectric insulation, and explore the aging and degradation mechanisms of power equipment insulation. However, according to state-of-the-art of the HV and insulation technology discipline, molecular simulation is encouraged to combine with other available computational simulation methodologies, including multi-physics numerical simulation and electromagnetic transient analysis, with a view to establishing an intact sub-discipline of computational high voltage engineering, so as further to serve theoretical boost for engineering practices.
李庆民, 黄旭炜, 刘涛, 闫江燕, 王兆东, 张颖, 鲁旭. 分子模拟技术在高电压绝缘领域的应用进展[J]. 电工技术学报, 2016, 31(12): 1-13.
Li Qingmin, Huang Xuwei, Liu Tao, Yan Jiangyan, Wang Zhaodong, Zhang Ying, Lu Xu. Application Progresses of Molecular Simulation Methodology in the Area of High Voltage Insulation. Transactions of China Electrotechnical Society, 2016, 31(12): 1-13.
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2016, Vol. 31 
