High-temperature unimolecular decomposition of ethyl propionate

Handle URI:
http://hdl.handle.net/10754/622204
Title:
High-temperature unimolecular decomposition of ethyl propionate
Authors:
Giri, Binod Raj; Alabbad, Mohammed; Farooq, Aamir ( 0000-0001-5296-2197 )
Abstract:
This work reports rate coefficients of the thermal unimolecular decomposition reaction of ethyl propionate (EP) behind reflected shock waves over the temperature range of 976–1300 K and pressures of 825–1875 Torr. The reaction progress was monitored by detecting CH near 10.532 μm using CO gas laser absorption. In addition, G3//MP2/aug-cc-pVDZ and master equation calculations were performed to assess the pressure- and temperature-dependence of the reaction. Our calculations revealed that CH elimination occurs via a six-centered retro-ene transition state. Our measured rate data are close to the high-pressure limit and showed no discernable temperature fall off.
KAUST Department:
Clean Combustion Research Center; Physical Sciences and Engineering (PSE) Division
Citation:
Giri BR, AlAbbad M, Farooq A (2016) High-temperature unimolecular decomposition of ethyl propionate. Chemical Physics Letters 664: 184–190. Available: http://dx.doi.org/10.1016/j.cplett.2016.10.012.
Publisher:
Elsevier BV
Journal:
Chemical Physics Letters
Issue Date:
9-Oct-2016
DOI:
10.1016/j.cplett.2016.10.012
Type:
Article
ISSN:
0009-2614
Sponsors:
King Abdullah University of Science and Technology
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorGiri, Binod Rajen
dc.contributor.authorAlabbad, Mohammeden
dc.contributor.authorFarooq, Aamiren
dc.date.accessioned2017-01-02T08:42:37Z-
dc.date.available2017-01-02T08:42:37Z-
dc.date.issued2016-10-09en
dc.identifier.citationGiri BR, AlAbbad M, Farooq A (2016) High-temperature unimolecular decomposition of ethyl propionate. Chemical Physics Letters 664: 184–190. Available: http://dx.doi.org/10.1016/j.cplett.2016.10.012.en
dc.identifier.issn0009-2614en
dc.identifier.doi10.1016/j.cplett.2016.10.012en
dc.identifier.urihttp://hdl.handle.net/10754/622204-
dc.description.abstractThis work reports rate coefficients of the thermal unimolecular decomposition reaction of ethyl propionate (EP) behind reflected shock waves over the temperature range of 976–1300 K and pressures of 825–1875 Torr. The reaction progress was monitored by detecting CH near 10.532 μm using CO gas laser absorption. In addition, G3//MP2/aug-cc-pVDZ and master equation calculations were performed to assess the pressure- and temperature-dependence of the reaction. Our calculations revealed that CH elimination occurs via a six-centered retro-ene transition state. Our measured rate data are close to the high-pressure limit and showed no discernable temperature fall off.en
dc.description.sponsorshipKing Abdullah University of Science and Technologyen
dc.publisherElsevier BVen
dc.subjectEthyl propionateen
dc.subjectRetro-ene eliminationen
dc.subjectShock tubeen
dc.subjectUnimolecular decompositionen
dc.titleHigh-temperature unimolecular decomposition of ethyl propionateen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalChemical Physics Lettersen
kaust.authorGiri, Binod Rajen
kaust.authorAlabbad, Mohammeden
kaust.authorFarooq, Aamiren
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