Electronic structure-based rate rules for Ḣ ipso addition–elimination reactions on mono-aromatic hydrocarbons with single and double OH/CH 3 /OCH 3 /CHO/C 2 H 5 substituents: a systematic theoretical investigation

Physical Chemistry Chemical Physics

DOI: 10.1039/d0cp03099f OpenAlex

Authors 0

Author list not loaded yet.

Cited by 7 stored of 24

Relative reactivity of methyl anisole isomers: An experimental and kinetic modelling study
2024 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies Open access

4

citations
Theoretical study of important phenylacetylene reactions in polycyclic aromatic hydrocarbon growth
2024 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies

7

citations
Auto-ignition characteristics of oxygenated aromatic compounds: Benzyl alcohol, benzaldehyde, and phenol
2024 Proceedings of the Combustion Institute article Chemical Engineering Advanced Combustion Engine Technologies Open access

4

citations
A detailed kinetic model for aromatics formation from small hydrocarbon and gasoline surrogate fuel combustion
2022 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies Open access

29

citations
Rate constants for H-atom abstraction reactions from mono-aromatic hydrocarbons by H, CH3, OH and 3O2: A systematic theoretical investigation
2022 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies Open access

21

citations
A new detailed kinetic model for surrogate fuels: C3MechV3.3
2021 Applications in Energy and Combustion Science article Chemical Engineering Advanced Combustion Engine Technologies Open access

123

citations
Polycyclic Aromatic Hydrocarbons Evolution and Interactions with Soot Particles During Fuel Surrogate Combustion: A Rate Rule-Based Kinetic Model
2021 SAE technical papers on CD-ROM/SAE technical paper series conference-paper Chemical Engineering Advanced Combustion Engine Technologies

3

citations

7 results

References 1

An experimental, theoretical and kinetic modelling study on the reactivity of a lignin model compound anisole under engine-relevant conditions
2020 Fuel article Chemical Engineering Advanced Combustion Engine Technologies

34

citations

1 result