Cargando…

Relationship between the Electrical Characteristics of Molecules and Fast Streamers in Ester Insulation Oil

The effects of C=C, ester and β-H groups on the ionization potential (IP) and electron affinity (EA) of molecules in natural ester insulation oil were investigated by density functional theory (DFT). The major contribution to the highest occupied molecular orbital (HOMO) comes from the carbon atoms...

Descripción completa

Detalles Bibliográficos
Autores principales: Wang, Kaizheng, Wang, Feipeng, Lou, Ziyi, Han, Qiuhuang, Zhao, Qi, Hu, Kelin, Huang, Zhengyong, Li, Jian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7038060/
https://www.ncbi.nlm.nih.gov/pubmed/32024099
http://dx.doi.org/10.3390/ijms21030974
_version_ 1783500567145873408
author Wang, Kaizheng
Wang, Feipeng
Lou, Ziyi
Han, Qiuhuang
Zhao, Qi
Hu, Kelin
Huang, Zhengyong
Li, Jian
author_facet Wang, Kaizheng
Wang, Feipeng
Lou, Ziyi
Han, Qiuhuang
Zhao, Qi
Hu, Kelin
Huang, Zhengyong
Li, Jian
author_sort Wang, Kaizheng
collection PubMed
description The effects of C=C, ester and β-H groups on the ionization potential (IP) and electron affinity (EA) of molecules in natural ester insulation oil were investigated by density functional theory (DFT). The major contribution to the highest occupied molecular orbital (HOMO) comes from the carbon atoms adjacent to C=C. Thus, the IPs of triglycerides decrease as the number of C=C double bonds increases. The C=C in alkanes may also lower the IP. However, the β-H in triglycerides has little effect on the IP, and C=C and β-H have only a small effect on the EAs of the triglycerides because of the major contributions of atoms near the ester group in triglycerides to the lowest unoccupied molecular orbital (LUMO). This study calculated the IPs of 53 kinds of molecules in FR3, which are significantly lower compared with those of molecules in mineral oil (MO) and trimethylolpropane triester without C=C. However, the lightning impulse breakdown voltage (LI V(b)) of trimethylolpropane triester is still significantly lower than that of MO at the large gap. Therefore, the transition from slow to fast streamers under low lighting impulse voltage is determined by the ester group rather than by C=C and β-H. The ester group may attract more electrons, impacting itself more compared to alkane in MO and facilitating the transition from slow to fast streamers.
format Online
Article
Text
id pubmed-7038060
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher MDPI
record_format MEDLINE/PubMed
spelling pubmed-70380602020-03-10 Relationship between the Electrical Characteristics of Molecules and Fast Streamers in Ester Insulation Oil Wang, Kaizheng Wang, Feipeng Lou, Ziyi Han, Qiuhuang Zhao, Qi Hu, Kelin Huang, Zhengyong Li, Jian Int J Mol Sci Article The effects of C=C, ester and β-H groups on the ionization potential (IP) and electron affinity (EA) of molecules in natural ester insulation oil were investigated by density functional theory (DFT). The major contribution to the highest occupied molecular orbital (HOMO) comes from the carbon atoms adjacent to C=C. Thus, the IPs of triglycerides decrease as the number of C=C double bonds increases. The C=C in alkanes may also lower the IP. However, the β-H in triglycerides has little effect on the IP, and C=C and β-H have only a small effect on the EAs of the triglycerides because of the major contributions of atoms near the ester group in triglycerides to the lowest unoccupied molecular orbital (LUMO). This study calculated the IPs of 53 kinds of molecules in FR3, which are significantly lower compared with those of molecules in mineral oil (MO) and trimethylolpropane triester without C=C. However, the lightning impulse breakdown voltage (LI V(b)) of trimethylolpropane triester is still significantly lower than that of MO at the large gap. Therefore, the transition from slow to fast streamers under low lighting impulse voltage is determined by the ester group rather than by C=C and β-H. The ester group may attract more electrons, impacting itself more compared to alkane in MO and facilitating the transition from slow to fast streamers. MDPI 2020-02-01 /pmc/articles/PMC7038060/ /pubmed/32024099 http://dx.doi.org/10.3390/ijms21030974 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Wang, Kaizheng
Wang, Feipeng
Lou, Ziyi
Han, Qiuhuang
Zhao, Qi
Hu, Kelin
Huang, Zhengyong
Li, Jian
Relationship between the Electrical Characteristics of Molecules and Fast Streamers in Ester Insulation Oil
title Relationship between the Electrical Characteristics of Molecules and Fast Streamers in Ester Insulation Oil
title_full Relationship between the Electrical Characteristics of Molecules and Fast Streamers in Ester Insulation Oil
title_fullStr Relationship between the Electrical Characteristics of Molecules and Fast Streamers in Ester Insulation Oil
title_full_unstemmed Relationship between the Electrical Characteristics of Molecules and Fast Streamers in Ester Insulation Oil
title_short Relationship between the Electrical Characteristics of Molecules and Fast Streamers in Ester Insulation Oil
title_sort relationship between the electrical characteristics of molecules and fast streamers in ester insulation oil
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7038060/
https://www.ncbi.nlm.nih.gov/pubmed/32024099
http://dx.doi.org/10.3390/ijms21030974
work_keys_str_mv AT wangkaizheng relationshipbetweentheelectricalcharacteristicsofmoleculesandfaststreamersinesterinsulationoil
AT wangfeipeng relationshipbetweentheelectricalcharacteristicsofmoleculesandfaststreamersinesterinsulationoil
AT louziyi relationshipbetweentheelectricalcharacteristicsofmoleculesandfaststreamersinesterinsulationoil
AT hanqiuhuang relationshipbetweentheelectricalcharacteristicsofmoleculesandfaststreamersinesterinsulationoil
AT zhaoqi relationshipbetweentheelectricalcharacteristicsofmoleculesandfaststreamersinesterinsulationoil
AT hukelin relationshipbetweentheelectricalcharacteristicsofmoleculesandfaststreamersinesterinsulationoil
AT huangzhengyong relationshipbetweentheelectricalcharacteristicsofmoleculesandfaststreamersinesterinsulationoil
AT lijian relationshipbetweentheelectricalcharacteristicsofmoleculesandfaststreamersinesterinsulationoil