A High Temperature Kinetic Study for the Thermal Unimolecular Decomposition of Diethyl Carbonate

Handle URI:
http://hdl.handle.net/10754/625208
Title:
A High Temperature Kinetic Study for the Thermal Unimolecular Decomposition of Diethyl Carbonate
Authors:
Alabbad, Mohammed; Giri, Binod; Szőri, Milan; Viskolcz, Béla; Farooq, Aamir ( 0000-0001-5296-2197 )
Abstract:
Thermal unimolecular decomposition of diethyl carbonate (DEC) was investigated in a shock tube by measuring ethylene concentration with a CO2 gas laser over 900 - 1200 K and 1.2 – 2.8 bar. Rate coefficients were extracted using a simple kinetic scheme comprising of thermal decomposition of DEC as initial step followed by rapid thermal decomposition of the intermediate ethyl-hydrogen-carbonate. Our results were further analysed using ab initio and master equation calculations to obtain pressure- and temperature- dependence of rate coefficients. Similar to alkyl esters, unimolecular decomposition of DEC is found to undergo six-center retro-ene elimination of ethylene in a concerted manner.
KAUST Department:
Clean Combustion Research Center; Physical Sciences and Engineering (PSE) Division
Citation:
AlAbbad M, Giri BR, Szőri M, Viskolcz B, Farooq A (2017) A high temperature kinetic study for the thermal unimolecular decomposition of diethyl carbonate. Chemical Physics Letters 684: 390–396. Available: http://dx.doi.org/10.1016/j.cplett.2017.07.020.
Publisher:
Elsevier BV
Journal:
Chemical Physics Letters
Issue Date:
8-Jul-2017
DOI:
10.1016/j.cplett.2017.07.020
Type:
Article
ISSN:
0009-2614
Sponsors:
Research reported in this publication was funded by King Abdullah University of Science and Technology (KAUST). Experimental work was carried out at the Chemical Kinetics and Laser Sensors Laboratory at KAUST. Milán Szőri was a Magyary Zoltán fellow in the framework of TÁMOP 4.2.4.A/2-11-1-2012-0001 (A2-MZPD-12-0139) and currently a János Bolyai Research Scholar of the Hungarian Academy of Sciences (BO/00113/15/7). Milán Szőri would also thank the financial support of the “Establishment of collaboration between the higher education and industry (FIEK) involving University of Miskolc for advanced materials and intelligent technologies” Program (GINOP-2.3.4-15-2016-00004).
Additional Links:
http://www.sciencedirect.com/science/article/pii/S0009261417306917
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorAlabbad, Mohammeden
dc.contributor.authorGiri, Binoden
dc.contributor.authorSzőri, Milanen
dc.contributor.authorViskolcz, Bélaen
dc.contributor.authorFarooq, Aamiren
dc.date.accessioned2017-07-19T10:44:59Z-
dc.date.available2017-07-19T10:44:59Z-
dc.date.issued2017-07-08en
dc.identifier.citationAlAbbad M, Giri BR, Szőri M, Viskolcz B, Farooq A (2017) A high temperature kinetic study for the thermal unimolecular decomposition of diethyl carbonate. Chemical Physics Letters 684: 390–396. Available: http://dx.doi.org/10.1016/j.cplett.2017.07.020.en
dc.identifier.issn0009-2614en
dc.identifier.doi10.1016/j.cplett.2017.07.020en
dc.identifier.urihttp://hdl.handle.net/10754/625208-
dc.description.abstractThermal unimolecular decomposition of diethyl carbonate (DEC) was investigated in a shock tube by measuring ethylene concentration with a CO2 gas laser over 900 - 1200 K and 1.2 – 2.8 bar. Rate coefficients were extracted using a simple kinetic scheme comprising of thermal decomposition of DEC as initial step followed by rapid thermal decomposition of the intermediate ethyl-hydrogen-carbonate. Our results were further analysed using ab initio and master equation calculations to obtain pressure- and temperature- dependence of rate coefficients. Similar to alkyl esters, unimolecular decomposition of DEC is found to undergo six-center retro-ene elimination of ethylene in a concerted manner.en
dc.description.sponsorshipResearch reported in this publication was funded by King Abdullah University of Science and Technology (KAUST). Experimental work was carried out at the Chemical Kinetics and Laser Sensors Laboratory at KAUST. Milán Szőri was a Magyary Zoltán fellow in the framework of TÁMOP 4.2.4.A/2-11-1-2012-0001 (A2-MZPD-12-0139) and currently a János Bolyai Research Scholar of the Hungarian Academy of Sciences (BO/00113/15/7). Milán Szőri would also thank the financial support of the “Establishment of collaboration between the higher education and industry (FIEK) involving University of Miskolc for advanced materials and intelligent technologies” Program (GINOP-2.3.4-15-2016-00004).en
dc.publisherElsevier BVen
dc.relation.urlhttp://www.sciencedirect.com/science/article/pii/S0009261417306917en
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Chemical Physics Letters. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Chemical Physics Letters, [, , (2017-07-08)] DOI: 10.1016/j.cplett.2017.07.020 . © 2017. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/en
dc.titleA High Temperature Kinetic Study for the Thermal Unimolecular Decomposition of Diethyl Carbonateen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalChemical Physics Lettersen
dc.eprint.versionPost-printen
dc.contributor.institutionInstitute of Chemistry, Faculty of Materials Science and Engineering, University of Miskolc, Egyetemváros A/4, H-3515 Miskolc, Hungaryen
kaust.authorAlabbad, Mohammeden
kaust.authorGiri, Binoden
kaust.authorFarooq, Aamiren
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