ReaxFF-based Molecular Dynamics Simulation on Decomposition of Kapton Polyimide Under Stress of DC Corona Discharge

HUANG Xuwei; LIU Tao; SHU Xiang; LI Qingmin; WANG Zhongdong

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ReaxFF-based Molecular Dynamics Simulation on Decomposition of Kapton Polyimide Under Stress of DC Corona Discharge

更新时间：2025-12-08

- ReaxFF-based Molecular Dynamics Simulation on Decomposition of Kapton Polyimide Under Stress of DC Corona Discharge
- Vol. 46, Issue 1, Pages: 215-223(2020)
- 作者机构：
  
  1. 高电压与电磁兼容北京市重点实验室(华北电力大学)
  2. 中国电力科学研究院有限公司
  3. 曼彻斯特大学电气与电子工程学院
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Published Online：31 January 2020，
  
  Published：2020
- 稿件说明：
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HUANG Xuwei, LIU Tao, SHU Xiang, et al. ReaxFF-based Molecular Dynamics Simulation on Decomposition of Kapton Polyimide Under Stress of DC Corona Discharge[J]. 2020, 46(1): 215-223.
DOI：

HUANG Xuwei, LIU Tao, SHU Xiang, et al. ReaxFF-based Molecular Dynamics Simulation on Decomposition of Kapton Polyimide Under Stress of DC Corona Discharge[J]. 2020, 46(1): 215-223. DOI：

摘要

空气中电晕放电将产生具有活性的离子

可导致电介质的高分子主链C—C键断裂

逐渐丧失其绝缘性能。Kapton型聚酰亚胺薄膜被广泛应用于直流特高压设备的气固绝缘中

其在电晕作用下的电气性能将直接影响到设备以及特高压电力系统的安全运行。为此利用ReaxFF反应分子动力学方法

针对直流电晕产生的主要活性离子（O

–、HO–、H

O+、NO+）的冲击作用

计算了Kapton的裂解化学反应过程

并分析了直流电晕极性效应的影响。结果表明:在活性离子基团的入射冲击作用下

聚酰亚胺与活性离子接触后发生能量转移

并与相应的活性基团发生化学反应

造成聚酰亚胺主链裂解

释出气态小分子产物（主要是CO和H

O）。针对不同极性电晕作用的仿真表明

正极性直流电晕对聚酰亚胺的侵蚀作用更加明显

这与已有的实验结果相符。最后通过仿真研究

阐释了电晕放电造成聚酰亚胺绝缘失效的微观作用机理。

Abstract

The impact of the energetic plasma produced by corona discharge in air will lead to breakage of C—C bonds in the main chain of polymer

and gradually lose their insulation properties. Kapton-type polyimide film are widely used in gas-solid insulation of DC UHV power equipment

and the corona effect will directly affect the security and stability of equipment and even UHV power system. Consequently

we investigated the chemical reactions of polyimide in DC corona discharge plasma（O

–

HO–

O+

NO+ and positive/negative polar ions）

respectively

in similar conditions to explain the degradation mechanism. The ReaxFF reactive force field molecular dynamics method was applied to simulate the de

composition of Kapton under the influence of DC corona discharge. The simulation results indicate that transfer energy will occur when the Kapton contacts with impact plasma ions

followed by chemical reactions with plasma and dissociated active free radicals

resulting in polyimide backbone cleavage. Thus

the gaseous small molecules（mainly in carbon monoxide and water vapor） are released. It is confirmed that the positive DC corona is more obvious to the polyimide by the polarity corona effect simulation

which is consistent with the experimental results. As the simulations above demonstrate

ReaxFF can provide an effective micro mechanism for clarifying the effect of polyimide insulation failure caused by discharge.

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