A Hierarchical Theoretical Study of the Hydrogen Abstraction Reactions of H2/C1–C4 Molecules by the Methyl Peroxy Radical and Implications for Kinetic Modeling-Reference-Cited by-同舟云学术

A Hierarchical Theoretical Study of the Hydrogen Abstraction Reactions of H₂/C₁–C₄ Molecules by the Methyl Peroxy Radical and Implications for Kinetic Modeling

Published:2022-03-01 Issue:10 Volume:7 Page:8675-8685
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Xu Shenying¹,Liang Jinhu¹²^ORCID,Cao Shutong²,He Ruining²,Yin Guoliang¹,Wang Quan-De³^ORCID

Affiliation:

1. Faculty of Materials and Chemical Engineering, Yibin University, Yibin, Sichuan 644000, People’s Republic of China

2. School of Environment and Safety Engineering, North University of China, Taiyuan 030051, People’s Republic of China

3. Jiangsu Key Laboratory of Coal-Based Greenhouse Gas Control and Utilization, Low Carbon Energy Institute, China University of Mining and Technology, Xuzhou 221008, People’s Republic of China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.1c06683

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5. Pelucchi, M.; Cai, L.; Pejpichestakul, W.; Tripathi, R.; Wagnon, S.; Zhang, K.; Raju, M.; Mehl, M.; Faravelli, T.; Pitz, W.; Pitsch, H.; Curran, H.; Senecal, P. K. Computational Chemistry Consortium: Surrogate Fuel Mechanism Development, Pollutants Sub-Mechanisms and Components Library, SAE Technical Paper, 2019-24-0020.

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