当前位置: X-MOL 学术Chem. Phys. Lett. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Analysis of the Potential Atmospheric Impact of the reaction of N2O with OH
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2018-08-04 , DOI: 10.1016/j.cplett.2018.08.014
Thanh Lam Nguyen , A.R. Ravishankara , John F. Stanton

The reaction of nitrous oxide (N2O) with hydroxyl (OH) is studied using high-level quantum chemistry and advanced chemical kinetics techniques. Three reaction mechanisms including a direct O-abstraction, an unusual indirect O-abstraction, and OH-addition/NO-elimination have been characterized. Reaction enthalpies calculated from first principles agree well with those of experiment. Chemical kinetics results show that the title reaction is not a candidate for short or long-time removal of N2O (with an atmospheric lifetime of at least 1×1013 years) from the atmosphere but may play a minor role in high-temperature combustion where it may convert N2O pollutants to N2.



中文翻译:

N 2 O与OH反应的潜在大气影响分析

使用高级量子化学和先进的化学动力学技术研究了一氧化二氮(N 2 O)与羟基(OH)的反应。表征了三种反应机理,包括直接O-吸收,不寻常的间接O-吸收和OH加成/ NO消除。根据第一原理计算出的反应焓与实验值基本吻合。化学动力学结果表明,标题反应不是从大气中短期或长期除去N 2 O(大气寿命至少1×10 13年)的候选方法,但在高温下可能仅扮演较小的角色燃烧时,它可能会将N 2 O污染物转化为N 2

更新日期:2018-08-05
down
wechat
bug