Communication: Thermal unimolecular decomposition of syn-CH3CHOO: A kinetic study
作者： Thanh Lam Nguyen , Laura McCaslin , Michael C. McCarthy , John F. Stanton
DOI: 10.1063/1.4964393
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摘要: The thermal decomposition of syn-ethanal-oxide (syn-CH3CHOO) through vinyl hydrogen peroxide (VHP) leading to hydroxyl radical is characterized using a modification the HEAT thermochemical protocol. isomerization step syn-CH3CHOO VHP via 1,4 H-shift, which involves moderate barrier 72 kJ/mol, found be rate determining. A two-dimensional master equation approach, in combination with semi-classical transition state theory, employed calculate time evolution various species as well obtain phenomenological coefficients. This work suggests that, under boundary layer conditions atmosphere, unimolecular most important sink syn-CH3CHOO. Thus, title reaction should included into atmospheric modeling. fate cold VHP, intermediate stabilized by collisions third body, has also been investigated.
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