Electrical Properties of Insulating Liquids Based on Molecular Properties Calculated by Density Functional Theory

Zheng, Hanbo; Lv, Weijie; Li, Xufan; Feng, Yan; Yang, Enchen; Liu, Chenyao; Wang, Zijian

doi:10.1109/tdei.2022.3214618

Cited by 11 publications

(2 citation statements)

References 31 publications

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“…The theory of quantum mechanics means that molecular simulation technology is not only limited to the study of chemistry, but also extended to electrical, physical, biological and material science and other disciplines, promoting the development of interdisciplinary research and providing a new means for people to understand the material world, in addition to experimental methods and theoretical methods [15]. Many scholars have applied molecular simulation methods to the field of high-voltage insulation, such as the synergistic effect of electric fields and temperature on insulating oil [16,17], the microscopic mechanism of the overheating of insulating oil [18,19], the aging and degradation of insulating materials [20,21], and the diffusion of gas molecules in oil paper insulation systems [22,23]. Meanwhile, molecular simulation has been successfully used in the study of PVDF, the static and dynamical mechanical properties of PVDF [24], elastic properties of PVDF crystals [25], and the effect of the addition of ionic liquids to PVDF [26].…”

Section: Introductionmentioning

confidence: 99%

Microscopic Mechanism of Electrical Aging of PVDF Cable Insulation Material

Pang

Zheng

et al. 2023

Polymers

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In this study, the quantum chemical method was used to investigate the microscopic characteristics of α-poly viny difluoride (PVDF) molecules under the influence of an electric field, and the impact of mechanical stress and electric field polarization on the insulation performance of PVDF was analyzed through the material’s structural and space charge characteristics. The findings reveal that long-term polarization of an electric field leads to a gradual decline in stability and a reduction in the energy gap of the front orbital, resulting in the improved conductivity of PVDF molecules and a change in the reactive active site of the molecular chain. When the energy gap reaches a certain value, a chemical bond fracture occurs, with the C-H and C-F bonds at the ends of the backbone breaking first to form free radicals. This process is triggered by an electric field of 8.7414 × 109 V/m, which leads to the emergence of a virtual frequency in the infrared spectrogram and the eventual breakdown of the insulation material. These results are of great significance in understanding the aging mechanism of electric branches in PVDF cable insulation and optimizing the modification of PVDF insulation materials.

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Section: Introductionmentioning

confidence: 99%

Microscopic Mechanism of Electrical Aging of PVDF Cable Insulation Material

Pang

Zheng

et al. 2023

Polymers

Self Cite

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“…A theoretically more elaborate model for one- and two-electron systems has previously been presented . In addition, related works adopting quantum chemical calculations mainly discussing the dependence of molecular and cation energies or orbital energies and other molecular properties on the electric field have recently been quite extensive. − …”

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confidence: 99%