The role of radical+ fuel-radical well-skipping reactions in ethanol and methylformate low-pressure flames

NJ Labbe, R Sivaramakrishnan… - Proceedings of the …, 2015 - Elsevier
Although the reactions of fuel-radicals with other dominant flame radicals such as H and CH
3 are important reactions in low-pressure flames, they have not been well studied. These …

Ramifications of including non-equilibrium effects for HCO in flame chemistry

NJ Labbe, R Sivaramakrishnan, CF Goldsmith… - Proceedings of the …, 2017 - Elsevier
The formation and destruction pathways of the formyl radical (HCO) occupy a pivotal role in
the conversion of fuel molecules (and their intermediates) to eventual products CO and CO …

Exploring old and new benzene formation pathways in low-pressure premixed flames of aliphatic fuels

CJ Pope, JA Miller - Proceedings of the Combustion Institute, 2000 - Elsevier
A modeling study of benzene and phenyl radical formation was performed for three low-
pressure premixed laminar flat flames having an unsaturated C2 or C3 hydrocarbon fuel …

Termolecular chemistry facilitated by radical-radical recombinations and its impact on flame speed predictions

Y Tao, AW Jasper, Y Georgievskii… - Proceedings of the …, 2021 - Elsevier
Recent theoretical studies have shown that termolecular chemistry can be facilitated through
reactions of flame radicals (H, O, and OH) or O 2 with highly-energized collision complexes …

The reaction of hydroxyethyl radicals with O2: A theoretical analysis and experimental product study

J Zádor, RX Fernandes, Y Georgievskii… - Proceedings of the …, 2009 - Elsevier
Reactions of α-hydroxyethyl (CH3CHOH) and β-hydroxyethyl (CH2CH2OH) radicals with
oxygen are of key importance in ethanol combustion. High-level ab initio calculations of the …

High-temperature oxidation chemistry of n-butanol–experiments in low-pressure premixed flames and detailed kinetic modeling

N Hansen, MR Harper, WH Green - Physical Chemistry Chemical …, 2011 - pubs.rsc.org
An automated reaction mechanism generator is used to develop a predictive,
comprehensive reaction mechanism for the high-temperature oxidation chemistry of n …

Predictive Combustion Kinetics of OH Radical Reactions with a C5 Unsaturated Alcohol: The Competitive H-Abstraction and OH-Addition Reactions of 2-Methyl-3 …

Y Li, J Guan, H Wang, L Zhu, L Ye… - The Journal of Physical …, 2021 - ACS Publications
2-Methyl-3-buten-2-ol (MBO232) is a potential biofuel and renewable fuel additive. In a
combustion environment, the consumption of MBO232 is mainly through the reaction with a …

Consumption and hydrocarbon growth processes in a 2-methyl-2-butene flame

L Ruwe, K Moshammer, N Hansen… - Combustion and …, 2017 - Elsevier
This paper is concerned with the investigation of the chemical structure of a low-pressure,
fuel-rich (ɸ= 1.8) premixed laminar flame fueled with 2-methyl-2-butene employing flame …

Theoretical study of H-atom abstraction by CH3OȮ radicals from aldehydes and alcohols: Ab initio and comprehensive kinetic modeling

R Tang, Y Han, H Chen, B Qu, Y Li, Z Lu, Z Xing… - Combustion and …, 2024 - Elsevier
Reaction kinetics of H-atom abstraction from C 1single bond C 3 alcohols, including CH 3
OH, C 2 H 5 OH, NC 3 H 7 OH, IC 3 H 7 OH, and C 1single bond C 2 aldehydes, including …

Reaction of Hydroperoxy Radicals with Primary C1–5 Alcohols: A Profound Effect on Ignition Delay Times

SE Rawadieh, IS Altarawneh, MA Batiha… - Energy & …, 2019 - ACS Publications
Ignition delay times of primary alcohols often display a noticeable sensitivity to their initial
reactions with HO2 radicals. In view of the transient nature of HO2 radicals, kinetic models …