TY - GEN
T1 - Insulation property analysis of cross-linked polyethylene based on density functional theory
AU - Chen, Xi
AU - Liu, Jian
AU - Zheng, Jiankang
AU - Li, Jiaming
AU - Zhao, Aixuan
AU - Xu, Long
AU - Deng, Junbo
AU - Zhang, Guanjun
N1 - Publisher Copyright:
© 2018 IEEE.
PY - 2018/6/29
Y1 - 2018/6/29
N2 - In recent years, molecular simulation technology, as the third mothed besides experiment and analysis, has been widely used in various fields. In the field of high voltage, molecular simulation is widely used in oilpaper and polymer insulation characteristics analysis, pyrolysis analysis and so on. In this paper, in order to clarify the electric aging mechanism of cross-linked polyethylene(XLPE), a simple XLPE molecular model is established with the ORCA package and the basic sets 3-21G, 6-31G and 6-311G(d, p) are utilized to optimize and get the most stable structure. We have chosen the band length, band gap and charge transfer within the molecule to characterize the XLPE molecule's status under electric field. The results show that the structural parameters and energy of the molecule present linear changes with electric strength. Especially, the band gap presents a downward trend, which means the insulation property of the material has decreased with the electric strength increases. These phenomena reveal the aging mechanism of XLPE molecule under electric field conditions, which is of great significance to the status evaluation of XLPE cable.
AB - In recent years, molecular simulation technology, as the third mothed besides experiment and analysis, has been widely used in various fields. In the field of high voltage, molecular simulation is widely used in oilpaper and polymer insulation characteristics analysis, pyrolysis analysis and so on. In this paper, in order to clarify the electric aging mechanism of cross-linked polyethylene(XLPE), a simple XLPE molecular model is established with the ORCA package and the basic sets 3-21G, 6-31G and 6-311G(d, p) are utilized to optimize and get the most stable structure. We have chosen the band length, band gap and charge transfer within the molecule to characterize the XLPE molecule's status under electric field. The results show that the structural parameters and energy of the molecule present linear changes with electric strength. Especially, the band gap presents a downward trend, which means the insulation property of the material has decreased with the electric strength increases. These phenomena reveal the aging mechanism of XLPE molecule under electric field conditions, which is of great significance to the status evaluation of XLPE cable.
KW - XLPE molecule
KW - density functional theory
KW - electric field
KW - insulation property
UR - https://www.scopus.com/pages/publications/85049831461
U2 - 10.1109/ICPADM.2018.8401060
DO - 10.1109/ICPADM.2018.8401060
M3 - 会议稿件
AN - SCOPUS:85049831461
T3 - Proceedings of the IEEE International Conference on Properties and Applications of Dielectric Materials
SP - 347
EP - 350
BT - ICPADM 2018 - 12th International Conference on the Properties and Applications of Dielectric Materials
PB - Institute of Electrical and Electronics Engineers Inc.
T2 - 12th International Conference on the Properties and Applications of Dielectric Materials, ICPADM 2018
Y2 - 20 May 2018 through 24 May 2018
ER -