Zahraa Dbouk , Roland Benoit , Bakr Hoblos , Nesrine Belhadj , Philippe Dagaut
{"title":"Cool flame of methylcyclohexene isomers in a JSR: Formation of aromatic and polyunsaturated hydrocarbons","authors":"Zahraa Dbouk , Roland Benoit , Bakr Hoblos , Nesrine Belhadj , Philippe Dagaut","doi":"10.1016/j.fuel.2024.133644","DOIUrl":null,"url":null,"abstract":"<div><div>Three isomers of methycyclohexene were oxidized in a jet-stirred reactor at 10 bar, in fuel-lean conditions (equivalence ratio of 0.5), from 500 to 1150 K. Samples of the reacting mixtures (fuel-oxygen–nitrogen) taken using a sonic fused-silica probe were collected and (i) analyzed by gas chromatography and (ii) for the conditions 620 and 680 K, dissolved in acetonitrile and analyzed by ultra-high performance liquid chromatography and Orbitrap mass spectrometry after direct flow injection or liquid chromatography separation. OH/OD exchange was used by adding D<sub>2</sub>O to samples to assess the presence of OH or OOH in products. The reaction with 2,4-dinitrophenylhydrazine allowed the characterizing carbonyl functional groups in the products. A large dataset of oxidation products was observed. Besides highly oxygenated compounds, we observed the production of polyunsaturated and aromatic products in the cool flame oxidation regime. To rationalize the present results, we used chemometric tools, i.e., Van Krevelen plots, calculated oxidation state of carbon, aromaticity index, and aromaticity equivalent index for oxidation products.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133644"},"PeriodicalIF":6.7000,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Fuel","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0016236124027935","RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENERGY & FUELS","Score":null,"Total":0}
引用次数: 0
Abstract
Three isomers of methycyclohexene were oxidized in a jet-stirred reactor at 10 bar, in fuel-lean conditions (equivalence ratio of 0.5), from 500 to 1150 K. Samples of the reacting mixtures (fuel-oxygen–nitrogen) taken using a sonic fused-silica probe were collected and (i) analyzed by gas chromatography and (ii) for the conditions 620 and 680 K, dissolved in acetonitrile and analyzed by ultra-high performance liquid chromatography and Orbitrap mass spectrometry after direct flow injection or liquid chromatography separation. OH/OD exchange was used by adding D2O to samples to assess the presence of OH or OOH in products. The reaction with 2,4-dinitrophenylhydrazine allowed the characterizing carbonyl functional groups in the products. A large dataset of oxidation products was observed. Besides highly oxygenated compounds, we observed the production of polyunsaturated and aromatic products in the cool flame oxidation regime. To rationalize the present results, we used chemometric tools, i.e., Van Krevelen plots, calculated oxidation state of carbon, aromaticity index, and aromaticity equivalent index for oxidation products.
期刊介绍：
The exploration of energy sources remains a critical matter of study. For the past nine decades, fuel has consistently held the forefront in primary research efforts within the field of energy science. This area of investigation encompasses a wide range of subjects, with a particular emphasis on emerging concerns like environmental factors and pollution.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
