{"title":"ch4和c2h6与o2在激发态下的反应动力学:反应途径和速率常数","authors":"V. A. Pelevkin, A. Sharipov","doi":"10.30826/nepcap9a-04","DOIUrl":null,"url":null,"abstract":"Quantum chemical study with the use of the multireference state-averaged complete active space self-consistent field approach was carried out to explore the reactions of CH4 and C2H6 molecules with O2 in different electronic states highly relevant for plasma-assisted combustion and plasma-chemical fuel reforming.","PeriodicalId":341242,"journal":{"name":"NONEQUILIBRIUM PROCESSES: RECENT ACCOMPLISHMENTS","volume":"109 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2020-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"REACTION KINETICS OF CH4 AND C2H6 WITH O2 IN EXCITED ELECTRONIC STATES: REACTION PATHWAYS AND RATE CONSTANTS\",\"authors\":\"V. A. Pelevkin, A. Sharipov\",\"doi\":\"10.30826/nepcap9a-04\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Quantum chemical study with the use of the multireference state-averaged complete active space self-consistent field approach was carried out to explore the reactions of CH4 and C2H6 molecules with O2 in different electronic states highly relevant for plasma-assisted combustion and plasma-chemical fuel reforming.\",\"PeriodicalId\":341242,\"journal\":{\"name\":\"NONEQUILIBRIUM PROCESSES: RECENT ACCOMPLISHMENTS\",\"volume\":\"109 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2020-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"NONEQUILIBRIUM PROCESSES: RECENT ACCOMPLISHMENTS\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.30826/nepcap9a-04\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"NONEQUILIBRIUM PROCESSES: RECENT ACCOMPLISHMENTS","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.30826/nepcap9a-04","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
REACTION KINETICS OF CH4 AND C2H6 WITH O2 IN EXCITED ELECTRONIC STATES: REACTION PATHWAYS AND RATE CONSTANTS
Quantum chemical study with the use of the multireference state-averaged complete active space self-consistent field approach was carried out to explore the reactions of CH4 and C2H6 molecules with O2 in different electronic states highly relevant for plasma-assisted combustion and plasma-chemical fuel reforming.