Hybrid Density Functional Theory Predictions of Low-Temperature Dimethyl Ether Combustion Pathways. II. Chain-Branching Energetics and Possible Role of the Criegee Intermediate

Amity Andersen, Emily A. Carter

Research output: Contribution to journalArticle

58 Scopus citations

Abstract

An oxidation mechanism of dimethyl ether (DME) low-temperature autoignition was examined. The mechanism comprised of three main steps, chain initiation, followed by chain propagation, and then chain branching. The kinetics of DME autoignition was found to be a complex mechanism . It was found that the change in kinetics was influenced by the factors like temperature, pressure, and relative concentrations.

Original languageEnglish (US)
Pages (from-to)9463-9478
Number of pages16
JournalJournal of Physical Chemistry A
Volume107
Issue number44
DOIs
StatePublished - Nov 6 2003
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

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