基于分子动力学的天然气合成油中多元气体扩散特性
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TM855

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江苏省自然科学基金资助项目“电、热混合故障下气制绝缘油产气及扩散机理研究”(BK20220218)


Diffusion characteristics of multi-component gases in gas to liquid insulating oil via molecular dynamics analysis
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    摘要:

    在电力变压器中,绝缘油由于老化、过热、放电等原因不断劣化,并伴随H2、CH4、C2H2、C2H4、C2H6等特征气体的产出,在油中发生不同程度的扩散。然而,由于气体结构和绝缘体系不同,天然气合成油(gas to liquid, GTL)中特征气体的扩散特征尚不明确,多气体分子之间的相互作用也不明晰。为揭示该扩散机理,文中利用分子动力学方法从微观层次上研究混合气体在静止GTL中的扩散行为。通过对比单一、二元、多元气体体系的扩散系数、运动轨迹、自由体积分数和相互作用能,分析混合气体加入对扩散的影响。结果表明,对于单一体系,气体在GTL中的扩散系数表现为:H2>烃类气体,且烃类气体的扩散系数与分子质量成反比,不同气体的扩散符合“空穴跳跃扩散理论”。对于二元体系,混合气体中气体分子的扩散作用具有协同效应,具体表现为不同气体分子之间的斥力作用。同时,混合气体的加入使得CH4和H2的相互作用能分别降低9.21、3.76 kJ/mol;H2和CH4自由体积分数分别增加了27.5%和113.7%,进而增加气体运动空间,削弱GTL对气体的束缚作用,提高气体扩散系数。明确GTL油中气体扩散特征将有利于电力变压器的故障诊断。

    Abstract:

    In power transformers, insulating oil deteriorates continuously due to aging, overheating, discharge, and other factors, accompanied by the production of characteristic gases such as H2, CH4, C2H2, C2H4, C2H6, and varying degrees of diffusion within the oil. However, due to differences in gas structure and insulation systems, the diffusion characteristics of characteristic gases in gas to liquid (GTL) insulating oil are not yet clear, and the interactions among multiple gas molecules remain unclear. In order to elucidate this diffusion mechanism, this study employs molecular dynamics methods to investigate the diffusion behavior of mixed gases in stationary GTL insulating oil at the microscopic level. By comparing the diffusion coefficients, trajectories, free volume fractions, and interaction energies of single-component, binary, and multicomponent gas systems, the influence of mixed gas addition on diffusion is analyzed. The results indicate that for single-component diffusion systems, the diffusion coefficients of gases in GTL insulating oil exhibit the order: H2 > hydrocarbon gases, and the diffusion coefficients of hydrocarbon gases are inversely proportional to molecular mass, with diffusion of different gases conforming to the "vacancy jump diffusion theory". For binary diffusion systems, the diffusion of gas molecules in mixed gas systems exhibits a synergistic effect, manifested by repulsive interactions between different gas molecules. Moreover, the addition of mixed gases reduces the interaction energy of CH4 with GTL insulating oil by 9.21 kJ/mol and that of H2 by 3.76 kJ/mol, respectively; the free volume fractions of H2 and CH4 increase by 27.5% and 113.7%, respectively, expanding gas movement space, weakening GTL's binding effect on gases, and increasing gas diffusion coefficients. Clarifying the diffusion characteristics of gases in GTL insulating oil will effectively serve the fault diagnosis of power transformers.

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刘金凤,陈贝贝,张文乾,李晓涵,张翔,江军.基于分子动力学的天然气合成油中多元气体扩散特性[J].电力工程技术,2026,45(1):154-163. LIU Jinfeng, CHEN Beibei, ZHANG Wenqian, LI Xiaohan, ZHANG Xiang, JIANG Jun. Diffusion characteristics of multi-component gases in gas to liquid insulating oil via molecular dynamics analysis[J]. Electric Power Engineering Technology,2026,45(1):154-163.

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  • 收稿日期:2025-06-11
  • 最后修改日期:2025-08-18
  • 在线发布日期: 2026-02-02
  • 出版日期: 2026-01-28
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