A theoretical study of 1-propanol H-abstractions and successive reactivity
Authors:
- Sarah N. ElliottSESarah N. Elliott
- Maristella Di TeodoroMTMaristella Di Teodoro
- Simone VariSVSimone Vari
- Luna Pratali MaffeiLMLuna Pratali Maffei
- Zeynep SerinyelZeynep Serinyel
- Océane ClementOCOcéane Clement
- Claire GrégoireClaire Grégoire
- Eric L. PetersenEric L. Petersen
- Olivier MathieuOMOlivier Mathieu
- Guillaume DaymaGuillaume Dayma
- Carlo CavallottiCarlo Cavallotti
- 31 October 2025
- journal article
- Published by Elsevier in Proceedings of the Combustion Institute
- Vol. 41
Abstract
No abstract availableFunding Information
- European Commission (GasChem4Air \u2013 CUPD53D23016890001)
- European Commission (1386)
- Ministero dell’Istruzione, dell’Università e della Ricerca (PE00000021)
- Ministero dell’Istruzione, dell’Università e della Ricerca (1243 02/08/2022)
This publication has 42 references indexed in Scilit:
- The role of stereochemistry in combustion processesWIREs Computational Molecular Science, 2024
- Systematically derived thermodynamic properties for alkane oxidationCombustion and Flame, 2023
- Automated identification and calculation of prompt effects in kinetic mechanisms using statistical modelsCombustion and Flame, 2022
- Theoretical studies of the reactions of 1-Propanol, and 2-Propanol with hydrogen atom and methyl radicalComputational and Theoretical Chemistry, 2022
- Theoretical kinetics of hydrogen abstraction reactions from propanol isomers by hydroperoxyl radical: Implication for combustion modelingCombustion and Flame, 2021
- Alcohol combustion chemistryProgress in Energy and Combustion Science, 2014
- An experimental and kinetic modeling study of n-propanol and i-propanol ignition at high temperaturesCombustion and Flame, 2014
- Biofuel Combustion Chemistry: From Ethanol to BiodieselAngewandte Chemie International Edition, 2010
- A comprehensive experimental study of low-pressure premixed C3-oxygenated hydrocarbon flames with tunable synchrotron photoionizationCombustion and Flame, 2008
- Reduction of PAH and soot in premixed ethylene–air flames by addition of ethanolCombustion and Flame, 2006