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首页> 美国卫生研究院文献>Molecules >Difference Analysis of Gas Molecules Diffusion Behavior in Natural Ester and Mineral Oil Based on Molecular Dynamic Simulation
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Difference Analysis of Gas Molecules Diffusion Behavior in Natural Ester and Mineral Oil Based on Molecular Dynamic Simulation

机译：基于分子动力学模拟的天然酯和矿物油中气体分子扩散行为的差异分析

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摘要

Natural ester, as a new environmentally green insulating oil, has been widely used in transformer. In an oil-immersed transformer, the normal aging, thermal failure, and discharge failure could easily lead to the decomposition of the oil-paper insulation system and produce different kinds of gases. Studying gas dissolution in natural ester and mineral oil could provide assistance in applying criteria to make a diagnosis of different kinds of faults in the transformer. In this paper, the molecular dynamics method was used to investigate the diffusion behavior of seven fault characteristic gases (including H , CO, CH , C H , CO , C H , C H ) in natural ester and mineral oil. The simulation parameters of free volume, interaction energy, mean square displacement, and diffusion coefficient were compared between the natural ester and mineral oil. Meanwhile, the influence of temperature on the diffusion of gas molecules in two kinds of oils was also analyzed. Results showed that the free volume, the interaction energy, and the relative molecular mass of gas molecules were the factors influenced by the diffusion of gas molecules in natural ester and mineral oil. The order of the diffusion coefficients of gas molecules in natural ester was as follows: H > CH > CO > C H > C H > CO > C H and that in mineral oil was as follows: H > CH > CO> C H > C H > C H > CO . By comparing the diffusion behavior of gas molecules in natural ester and mineral oil, it was found that the smaller free volume and higher interaction energy of gas molecules in natural ester were the major reasons for the gas molecules to be more difficult to diffuse in natural ester. The rising temperature could enhance the free volume and reduce the interaction energy between gas molecules and oil. The diffusion coefficient of gas molecules increased exponentially with the follow of temperature. However, the temperature didn’t affect the ordering of diffusion coefficient, free volume, and interaction energy of gas molecules in natural ester and mineral oil.
机译：天然酯作为一种新型的绿色环保绝缘油，已广泛应用于变压器中。在油浸式变压器中，正常的老化，热故障和放电故障很容易导致油纸绝缘系统分解并产生不同种类的气体。研究天然气在天然酯和矿物油中的溶解度可以为应用标准以诊断变压器中各种故障提供帮助。本文采用分子动力学方法研究了七种故障特征气体（H，CO，CH，CH，CH，CO，CH，CH）在天然酯和矿物油中的扩散行为。比较了天然酯和矿物油的自由体积，相互作用能，均方位移和扩散系数的模拟参数。同时，分析了温度对两种油中气体分子扩散的影响。结果表明，气体分子的自由体积，相互作用能和相对分子质量是影响气体分子在天然酯和矿物油中扩散的因素。天然酯中气体分子的扩散系数顺序为：H> CH> CO> CH> CH> CO> CH> CO> CH，在矿物油中的顺序为：H> CH> CO> CH> CH> CH> CH>。一氧化碳通过比较天然酯和矿物油中气体分子的扩散行为，发现天然酯中气体分子的自由体积较小和相互作用能较高，这是气体分子在天然酯中更难扩散的主要原因。升高的温度可以增加自由体积并减少气体分子与油之间的相互作用能。气体分子的扩散系数随温度的升高呈指数增长。但是，温度并没有影响天然酯和矿物油中气体分子的扩散系数，自由体积和相互作用能的顺序。

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