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

Mohammed A. AlAbbad, Binod Giri, Milan Szőri, Béla Viskolcz, Aamir Farooq

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

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.
Original languageEnglish (US)
Pages (from-to)390-396
Number of pages7
JournalChemical Physics Letters
Volume684
DOIs
StatePublished - Jul 8 2017

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