The ethylene propylene diene monomer (EPDM) is utilized in high voltage direct current (HVDC) cable accessories due to its exceptional insulation properties. The microscopic reactions and space charge characteristics of EPDM under electric fields are studied using density functional theory. The results indicate that as the electric field intensity increases, the total energy decreases while the dipole moment and polarizability increase, leading to a decrease in the stability of EPDM. The molecular chain elongates under the stretching effect of the electric field and the stability of the geometric structure decreases, resulting in a decline in its mechanical and electrical properties. With increased electric field intensity, the energy gap of the front orbital decreases, and its conductivity improves. Additionally, the active site of the molecular chain reaction shifts, leading to different degrees of hole trap and electron trap energy level distribution in the area where the front track of the molecular chain is located, making EPDM more susceptible to trapping free electrons or injecting charge. When the electric field intensity reaches 0.0255 a.u., the EPDM molecular structure is destroyed, and its infrared spectrum undergoes significant changes. These findings provide a basis for future modification technology, and theoretical support for high voltage experiments.
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.
The paper/oil system is the main component of transformer insulation. Indicator plays a vital role in assessing the aging condition of local hot spots of transformer insulation paper. The cellulosic insulating paper is mainly composed of cellobiose. This study uses the molecular dynamics method based on reactive force field (ReaxFF) to pyrolyze the insulating paper. Various production paths of ethanol were studied at the atomic level through ReaxFF simulations. A model consisting of 40 cellobioses was established for repeated simulation at 500K-3000K. Besides, to explore the relationship between the intermediate products and ethanol, the combination model of intermediate products (levoglucosan, acetaldehyde, 2,2-dihydroxyacetaldehyde) was established for repeated simulation. The simulation results showed that the increase in temperature can accelerate the production of ethanol from insulating paper and its pyrolysis intermediate products, which matched the related experimental results. This study can provide an effective reference for the use of ethanol as an indicator to assess the aging condition of the local hot spots of transformers.
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