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Original paper

Ab initio calculation and kinetic modeling study of diethyl ether ignition with application toward a skeletal mechanism for CI engine modeling

Fuel6.70
Volume: 209, Pages: 509 - 520
Published: Aug 9, 2017
Abstract
Quantum chemistry and rate constants of reactions such as H-abstraction of diethyl ether (DEE) by H, OH, HO2, O and CH3 radicals as well as DEE and DEE radicals decomposition and isomerization were carried out through high-level ab initio and RRKM master equation computations. A comparison was made between some of the calculated rate constants and literature data. A detailed kinetic mechanism for DEE ignition contains 341 species and 1867...
Paper Details
Title
Ab initio calculation and kinetic modeling study of diethyl ether ignition with application toward a skeletal mechanism for CI engine modeling
Published Date
Aug 9, 2017
Journal
Volume
209
Pages
509 - 520
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