Master Equation Modeling of the Unimolecular Decompositions of α-Hydroxyethyl (CH3CHOH) and Ethoxy (CH3CH2O) Radicals

High-temperature laser absorption diagnostics for CH2O and CH3CHO and their application to shock tube kinetic studies

(2013) Shengkai Wang et al.   COMBUSTION AND FLAME

Experimental and kinetic modeling study of 2-butanol pyrolysis and combustion

(2013) Jianghuai Cai et al.   COMBUSTION AND FLAME

Comparative Autoignition Trends in Butanol Isomers at Elevated Pressure

(2013) Bryan W. Weber et al.   ENERGY & FUELS

Experimental and Modeling Study of Premixed Laminar Flames of Ethanol and Methane

(2013) Luc-Sy Tran et al.   ENERGY & FUELS

A Hierarchical and Comparative Kinetic Modeling Study of C1− C2Hydrocarbon and Oxygenated Fuels

(2013) Wayne K. Metcalfe et al.   INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Multi-species measurements in 1-butanol pyrolysis behind reflected shock waves

(2012) Ivo Stranic et al.   COMBUSTION AND FLAME

A comprehensive chemical kinetic combustion model for the four butanol isomers

(2012) S. Mani Sarathy et al.   COMBUSTION AND FLAME

Experimental and Kinetic Modeling Study of n-Butanol Pyrolysis and Combustion

(2012) Jianghuai Cai et al.   ENERGY & FUELS

Multi-path variational transition state theory for chemical reaction rates of complex polyatomic species: ethanol + OH reactions

(2012) Jingjing Zheng et al.   FARADAY DISCUSSIONS

The Reaction OH + C2H4: An Example of Rotational Channel Switching

(2012) David M. Golden   JOURNAL OF PHYSICAL CHEMISTRY A

Role of conformational structures and torsional anharmonicity in controlling chemical reaction rates and relative yields: butanal + HO2reactions

(2012) Jingjing Zheng et al.   Chemical Science

Numerical and experimental study of ethanol combustion and oxidation in laminar premixed flames and in jet-stirred reactor

(2011) N. Leplat et al.   COMBUSTION AND FLAME

Product Branching from the CH2CH2OH Radical Intermediate of the OH + Ethene Reaction

(2011) Britni J. Ratliff et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Site-Specific Rate Coefficients for Reaction of OH with Ethanol from 298 to 900 K

(2011) Scott A. Carr et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Unimolecular Kinetics for CH4+ M ⇄ CH3+ H + M in Eight Baths, M = He, Ne, Ar, Kr, H2, N2, CO, and CH4

(2011) Ahren W. Jasper et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A comparative experimental and computational study of methanol, ethanol, and n-butanol flames

(2010) Peter S. Veloo et al.   COMBUSTION AND FLAME

Rate Constants for the Thermal Decomposition of Ethanol and Its Bimolecular Reactions with OH and D: Reflected Shock Tube and Theoretical Studies

(2010) R. Sivaramakrishnan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Roaming Pathway Leading to Unexpected Water + Vinyl Products in C2H4OH Dissociation

(2010) Eugene Kamarchik et al.   Journal of Physical Chemistry Letters

Kinetics of elementary reactions in low-temperature autoignition chemistry

(2010) Judit Zádor et al.   PROGRESS IN ENERGY AND COMBUSTION SCIENCE

Unimolecular decomposition mechanism of vinyl alcohol by computational study

(2010) Ju-Xiang Shao et al.   THEORETICAL CHEMISTRY ACCOUNTS

Ab Initio Kinetics for Decomposition/Isomerization Reactions of C2H5O Radicals

(2009) Zhen Feng Xu et al.   CHEMPHYSCHEM

Energy transfer in master equation simulations: A new approach

(2009) John R. Barker   INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Ethanol Oxidation: Kinetics of the α-Hydroxyethyl Radical + O2Reaction

(2009) Gabriel da Silva et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Direct Observation of Roaming Radicals in the Thermal Decomposition of Acetaldehyde

(2009) R. Sivaramakrishnan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Roaming Radical Kinetics in the Decomposition of Acetaldehyde

(2009) Lawrence B. Harding et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation

(2008) B. R. Heazlewood et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA