Oxiranes are a class of cyclic ethers formed in abundance during low‐temperature combustion of hydrocarbons and biofuels, either via chain‐propagating steps that occur from unimolecular decomposition of β‐hydroperoxyalkyl radicals (β‐̇QOOH) or from reactions of HȮO with alkenes. The cis‐ and trans‐isomers of 2,3‐dimethyloxirane are intermediates of n‐butane oxidation, and while rate coefficients for β‐̇QOOH → 2,3‐dimethyloxirane + ̇OH are reported extensively, subsequent reaction mechanisms of the cyclic ethers are not. As a result, chemical kinetics mechanisms commonly adopt simplified chemistry to describe the consumption of 2,3‐dimethyloxirane by convoluting several elementary reactions into a single step, which may introduce mechanism truncation error—uncertainty derived from missing or incomplete chemistry.

中文翻译：

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环状醚中间体的异构体依赖性反应机理：顺式-2,3-二甲基环氧乙烷和反式-2,3-二甲基环氧乙烷

环氧乙烷是一类在碳氢化合物和生物燃料的低温燃烧过程中大量形成的环状醚，它们是通过链增长的步骤产生的，这些步骤是由β-氢过氧烷基自由基（β- QOOH）的单分子分解或H = O与烯烃的反应产生的。2,3-二甲基环氧乙烷的顺式和反式异构体是正丁烷氧化的中间体，而β的速率系数̇QOOH→2,3-二甲基环氧乙烷+̇OH被广泛报道，但环醚的后续反应机理尚未报道。结果，化学动力学机制通常采用简化的化学方法，通过将多个基本反应卷积到一个步骤中来描述2,3-二甲基环氧乙烷的消耗量，这可能会引入机制截断错误-由于化学缺失或不完全而导致的不确定性。