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Shock tube study and RRKM calculations on thermal decomposition of 2-chloroethyl methyl ether

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cris.author.scopus-author-id57200604909
cris.author.scopus-author-id6603401898
dc.contributor.authorParandaman, A.
dc.contributor.authorRajakumar Balla
dc.date.accessioned2023-09-20T05:04:47Z
dc.date.available2023-09-20T05:04:47Z
dc.date.issued01-01-2017
dc.description.abstractThe thermal decomposition of 2-chloroethyl methyl ether (2-CEME) was studied in the temperatures between 1175 and 1467 K. The decomposition of 2-CEME happens predominantly via molecular elimination reactions than via C–C and C–O bond fission channels. The major decomposition products are methane, ethylene and methanol. The minor are acetaldehyde and ethane. The Arrhenius expression for the overall decomposition of 2-CEME was obtained to be ktotalexp(1175−1467K)=(4.12±0.42)×1011exp(−(52.2kcalmol−1±2.6)/RT)s−1. To simulate the distribution of reactant and products over the experimentally studied temperatures between 1175 and 1467 K, a reaction scheme was constructed with 45 species and 71 elementary reactions. The pressure and temperature dependent rate coefficients were calculated for various unimolecular dissociation pathways in 2-CEME using RRKM theory. The high pressure limit temperature dependent rate coefficient for the total decomposition of 2-CEME was obtained to be ktotalCCSDT//M06−2X(500–2000 K) = (2.55 ± 0.21) × 1014 exp (−(67.6 kcal mol−1± 3.0)/RT) s−1.
dc.identifier.doi10.1016/j.combustflame.2017.08.014
dc.identifier.issn102180
dc.identifier.scopus2-s2.0-85028946868
dc.identifier.urihttps://apicris.irins.org/handle/IITM2023/35633
dc.relation.ispartofseriesCombustion and Flame
dc.sourceCombustion and Flame
dc.subject2-Chloroethyl methyl ether
dc.subjectKinetic simulation
dc.subjectRRKM theory, Single pulse shock tube
dc.subjectThermal decomposition
dc.titleShock tube study and RRKM calculations on thermal decomposition of 2-chloroethyl methyl ether
dc.typeJournal
dspace.entity.typePublication
oaire.citation.endPage276
oaire.citation.startPage263
oaire.citation.volume186
oairecerif.author.affiliation#PLACEHOLDER_PARENT_METADATA_VALUE#
oairecerif.author.affiliationIndian Institute of Technology, Madras
person.affiliation.cityChennai
person.affiliation.id60025757
person.affiliation.nameIndian Institute of Technology Madras
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