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 …

Shock tube measurements of the rate constant for the reaction ethanol+ OH

I Stranic, GA Pang, RK Hanson… - The Journal of …, 2014 - ACS Publications
The overall rate constant for the reaction ethanol+ OH→ products was determined
experimentally from 900 to 1270 K behind reflected shock waves. Ethan18ol was utilized for …

Kinetic and mechanistic studies of the reaction of hydroxyl radicals with acetaldehyde over an extended temperature range

PH Taylor, MS Rahman, M Arif, B Dellinger… - Symposium …, 1996 - Elsevier
Absolute rate coefficients for the reactions of OH with CH3CHO, CH3CDO, and CD3CDO
were measured with the laser photolysis/laser-induced fluorescence technique. A large …

Master Equation Modeling of the Unimolecular Decompositions of Hydroxymethyl (CH2OH) and Methoxy (CH3O) Radicals to Formaldehyde (CH2O) + H

EE Dames, DM Golden - The Journal of Physical Chemistry A, 2013 - ACS Publications
α-Hydroxyalkyl radical intermediates (RCHOH, R= H, CH3, etc.) are common to the
combustion of nearly all oxygenated fuels. Despite their importance in modeling the …

Low-Temperature Combustion Chemistry of n-Butanol: Principal Oxidation Pathways of Hydroxybutyl Radicals

O Welz, J Zádor, JD Savee, L Sheps… - The Journal of …, 2013 - ACS Publications
Reactions of hydroxybutyl radicals with O2 were investigated by a combination of quantum-
chemical calculations and experimental measurements of product formation. In pulsed …

Gas-phase reactions of hydroxyl radicals with the fuel additives methyl tert-butyl ether and tert-butyl alcohol over the temperature range 240-440 K

TJ Wallington, P Dagaut, R Liu… - Environmental science & …, 1988 - ACS Publications
In order to increase the octane number of gasolines and thereby prevent or minimize knock
in spark-ignition en-gines, several gasoline additives have been Used. These have included …

Formation of methoxy and hydroxymethyl free radicals in selected elementary reactions

S Dóbé, T Bérces, F Temps, HG Wagner… - Symposium (International) …, 1994 - Elsevier
The fast flow technique combined with laser-induced fluorescence (LIF) and laser magnetic
resonance (LMR) detections have been used to obtain branching ratios for CH 3 O and CH …

Ethanol Oxidation: Kinetics of the α-Hydroxyethyl Radical + O2 Reaction

G da Silva, JW Bozzelli, L Liang… - The Journal of Physical …, 2009 - ACS Publications
Bioethanol is currently a significant gasoline additive and the major blend component of flex-
fuel formulations. Ethanol is a high-octane fuel component, and vehicles designed to take …

Theoretical rate coefficients for the reaction of methyl radical with hydroperoxyl radical and for methylhydroperoxide decomposition

AW Jasper, SJ Klippenstein, LB Harding - Proceedings of the combustion …, 2009 - Elsevier
The kinetics of the CH3+ HO2 bimolecular reaction and the thermal decomposition of
CH3OOH are studied theoretically. Direct variable reaction coordinate transition state theory …

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 …