Quantum Chemistry Computing to analyze the Gas Generation Mechanism in Ester Insulating Oils

Masamichi Kato, Satoshi Matsumoto

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The thermal decomposition mechanism of ester insulating oil was investigated using quantum chemistry computing. The bond dissociation energy of each ester's molecular bond was calculated, activate energy for generation radicals estimated. Gibbs free energy difference before and after bond dissociation was calculated at 300, 400, 500, 600, and 700°C. The reaction rate at each temperature was evaluated, and the ratio of each radical was estimated. Furthermore, the reaction pathway in which radicals generate gases (H2, CH4, C2H6, C2H4, C2H2) used in DGA was searched by transition state (TS) search and intrinsic reaction coordinate (IRC) analyzing. Finally, the Gibbs free energy for these reaction pathways was calculated and the gas generation rate at each temperature was estimated. Calculated gas generation characteristic trends are consistent with the data of local heating experiments previously reported.

Original languageEnglish
Title of host publication2020 IEEE Electrical Insulation Conference, EIC 2020
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages157-162
Number of pages6
ISBN (Electronic)9781728154855
DOIs
Publication statusPublished - 2020 Jun
Event2020 IEEE Electrical Insulation Conference, EIC 2020 - Knoxville, United States
Duration: 2020 Jun 222020 Jul 3

Publication series

Name2020 IEEE Electrical Insulation Conference, EIC 2020

Conference

Conference2020 IEEE Electrical Insulation Conference, EIC 2020
CountryUnited States
CityKnoxville
Period20/6/2220/7/3

Keywords

  • DGA
  • Dissolved gas analysis
  • Ester insulating oil
  • Quantum chemistry computing
  • Transformer

ASJC Scopus subject areas

  • Energy Engineering and Power Technology
  • Electrical and Electronic Engineering
  • Safety, Risk, Reliability and Quality
  • Electronic, Optical and Magnetic Materials

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