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

Ignition and kinetic modeling of methane and ethane fuel blends with oxygen: A design of experiments approach

(2013) Christopher J. Aul et al.   COMBUSTION AND FLAME

An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures

(2013) Alan Kéromnès et al.   COMBUSTION AND FLAME

Short chemical-kinetic mechanisms for low-temperature ignition of propane and ethane

(2012) Juan C. Prince 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

A shock tube study of the rate constants of HO2 and CH3 reactions

(2012) Zekai Hong et al.   COMBUSTION AND FLAME

Temperature Dependence of the Laminar Burning Velocity of Methanol Flames

(2012) J. Vancoillie 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

High-temperature dissociation of ethyl radicals and ethyl iodide

(2012) Xueliang Yang et al.   INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Rate constants for hydrogen abstraction by HȮ2 from n-butanol

(2012) Chong-Wen Zhou et al.   INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Detailed and reduced chemistry for methanol ignition

(2011) Reinhard Seiser et al.   COMBUSTION AND FLAME

High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomic hydrogen

(2011) Rubén Meana-Pañeda et al.   JOURNAL OF CHEMICAL PHYSICS

Rate constants for hydrogen abstraction reactions by the hydroperoxyl radical from methanol, ethenol, acetaldehyde, toluene, and phenol

(2011) Mohammednoor Altarawneh et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Laminar Flame Speed Measurements and Modeling of Pure Alkanes and Alkane Blends at Elevated Pressures

(2011) William Lowry et al.   JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME

Theoretical Investigations on Removal Reactions of Ethenol by H Atom

(2011) Han-Bing Rao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Shock Tube Study on the Thermal Decomposition of Ethanol

(2011) Chih-Wei Wu 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

Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. 2. Accurate Thermal Rate Constants

(2011) I. M. Alecu 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

Isobutane ignition delay time measurements at high pressure and detailed chemical kinetic simulations

(2010) D. Healy et al.   COMBUSTION AND FLAME

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

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

n-Butane: Ignition delay measurements at high pressure and detailed chemical kinetic simulations

(2010) D. Healy et al.   COMBUSTION AND FLAME

Study of the H+O+M reaction forming OH∗: Kinetics of OH∗ chemiluminescence in hydrogen combustion systems

(2010) T. Kathrotia et al.   COMBUSTION AND FLAME

Rate constants for hydrogen-abstraction by O˙H from n-butanol

(2010) Chong-Wen Zhou et al.   COMBUSTION AND FLAME

Oxidation of Acetone and Its Interaction with Nitric Oxide

(2010) M.U. Alzueta et al.   ENERGY & FUELS

Methane/n-Butane Ignition Delay Measurements at High Pressure and Detailed Chemical Kinetic Simulations

(2010) D. Healy et al.   ENERGY & FUELS

Comparative High Temperature Shock Tube Ignition of C1−C4 Primary Alcohols

(2010) Khalid Emilio Noorani et al.   ENERGY & FUELS

Oxidation of C1−C5 Alkane Quinternary Natural Gas Mixtures at High Pressures

(2010) D. Healy et al.   ENERGY & FUELS

Ignition and Oxidation of 50/50 Butane Isomer Blends

(2010) Nicole Donato et al.   JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME

Shock Tube/Laser Absorption Measurements of the Reaction Rates of OH with Ethylene and Propene

(2010) Subith S. Vasu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Uncertainty driven theoretical kinetics studies for CH3OH ignition: HO2+CH3OH and O2+CH3OH

(2010) Stephen J. Klippenstein et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

Unimolecular decomposition mechanism of vinyl alcohol by computational study

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

Role of the α-hydroxyethylperoxy radical in the reactions of acetaldehyde and vinyl alcohol with HO2

(2009) Gabriel da Silva et al.   CHEMICAL PHYSICS LETTERS

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

Methanol oxidation in a flow reactor: Implications for the branching ratio of the CH3OH+OH reaction

(2008) Christian Lund Rasmussen et al.   INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Enthalpies of Formation and Bond Dissociation Energies of Lower Alkyl Hydroperoxides and Related Hydroperoxy and Alkoxy Radicals

(2008) John M. Simmie et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Accurate Benchmark Calculation of the Reaction Barrier Height for Hydrogen Abstraction by the Hydroperoxyl Radical from Methane. Implications for CnH2n+2wheren= 2 → 4

(2008) Jorge Aguilera-Iparraguirre et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental and kinetic modeling study of C2H4 oxidation at high pressure

(2008) Jorge Gimenez Lopez et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

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

(2008) Ahren W. Jasper et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

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

(2008) Judit Zádor et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

Thermal decomposition reaction and a comprehensive kinetic model of dimethyl ether

(2007) Zhenwei Zhao et al.   INTERNATIONAL JOURNAL OF CHEMICAL KINETICS