2 papers
physics.chem-ph2024
On the H-atom abstractions from C1-C4 alcohols, aldehydes, and ethers by NO2: ab initio and comprehensive kinetic modeling
Hongqing Wu^, Ruoyue Tang^, Yuxin Dong +6
As crucial additives and intermediate, alcohols, ethers, and aldehydes play a significant role in the combustion process. However, the chemistry of NOXhydrocarbon interactions and…
physics.chem-ph2024
Understanding kinetic interactions between NOx and C2-C5 alkanes and alkenes: The rate rules and influences of H-atom abstractions by NO2
Hongqing Wu, Ruoyue Tang, Xinrui Ren +4
This study aims to reveal the important role and the respective rate rules of H atom abstractions by NO2 for better understanding NOX hydrocarbon interactions. To this end, H atom…