Insights into the role of the H-abstraction reaction kinetics of amines in understanding their degeneration fates under atmospheric and combustion conditions

Abstract

Amines, a class of prototypical volatile organic compounds, have garnered considerable interest within the context of atmospheric and combustion chemistry due to their substantial contributions to the formation of hazardous pollutants in the atmosphere. In the current energy landscape, the implementation of carbon-neutral energy and strategic initiatives leads to generation of new amine sources that cannot be overlooked in terms of the emission scale. To reduce the emission level of amines from their sources and mitigate their impact on the formation of harmful substances, a comprehensive understanding of the fundamental reaction kinetics during the degeneration process of amines is imperative. This perspective article first presents an overview of both traditional amine sources and emerging amine sources within the context of carbon peaking and carbon neutrality and then highlights the importance of H-abstraction reactions in understanding the atmospheric and combustion chemistry of amines from the perspective of reaction kinetics. Subsequently, the current experimental and theoretical techniques for investigating the H-abstraction reactions of amines are introduced, and a concise summary of research endeavors made in this field over the past few decades is provided. In order to provide accurate kinetic parameters of the H-abstraction reactions of amines, advanced kinetic calculations are performed using the multi-path canonical variational theory combined with the small-curvature tunneling and specific-reaction parameter methods. By comparing with the literature data, current kinetic calculations are comprehensively evaluated, and these validated data are valuable for the development of the reaction mechanism of amines.