Physical chemistry chemical physics : PCCP
Theoretical and kinetic studies of H-abstraction from diisopropyl ether by key radicals: implications for combustion chemistry.
Xingzhi Wang, Jiuning He, Xue Zou, Jianhua Li, Lei Chen, Yanhao Duan, Jia Li, Changhua Zhang, Deliang Chen
Published: 202510.1039/d5cp02388b
Abstract
H-abstraction by reactive radicals OH, HO2, H, and CH3 governs diisopropyl ether (DIPE) oxidation kinetics, with preferential attack at α-carbon sites adjacent to the ether oxygen. Current kinetic models exhibit significant uncertainties due to scarc…
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