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The pyrolysis of 2-methylfuran: a quantum chemical, statistical rate theory and kinetic modelling study
(Royal Society of Chemistry, 2014-01-27)
Due to the rapidly growing interest in the use of biomass derived furanic compounds as potential platform chemicals and fossil fuel replacements, there is a simultaneous need to understand the pyrolysis and combustion ...
Rate constant calculations of H-Atom abstraction reactions from ethers by H(O) over dot(2) radicals
(American Chemical Society, 2014-01-31)
In this work, we detail hydrogen atom abstraction reactions from six ethers by the hydroperoxyl radical, including dimethyl ether, ethyl methyl ether, propyl methyl ether, isopropyl methyl ether, butyl methyl ether, and ...
Oxidation of ethylene-air mixtures at elevated pressures, part 1: experimental results
(American Institute of Aeronautics and Astronautics, 2014-03-26)
Shock-tube experiments have been performed to determine ignition delay times of undiluted ethylene air mixtures for temperatures from 1003 to 1401 K, at equivalence ratios from 0.3 to 2.0, and at pressures from 1.1 to 24.9 ...
Oxidation of ethylene-air mixtures at elevated pressures, part 2: chemical kinetics
(American Institute of Aeronautics and Astronautics, 2014-03-27)
A chemical kinetics submechanism for small molecular weight hydrocarbons was modified by adjusting rate constants to produce better agreement with recent ethylene ignition delay time data compared with an earlier version ...
Theoretical chemical kinetic study of the h-atom abstraction reactions from aldehydes and acids by Ḣ Atoms and ȮH, HȮ2, and ĊH3 radicals
(American Chemical Society, 2014-11-11)
We have performed a systematic, theoretical chemical kinetic investigation of H atom abstraction by H atoms and OH, HO2, and CH3 radicals from aldehydes (methanal, ethanal, propanal, and isobutanal) and acids (methanoic ...
Comparison of the performance of several recent hydrogen combustion mechanisms
(Elsevier ScienceDirect, 2014-03-12)
A large set of experimental data was accumulated for hydrogen combustion: ignition measurements in shock tubes (770 data points in 53 datasets) and rapid compression machines (229/20), concentration time profiles in flow ...
A comprehensive combustion chemistry study of 2,5-dimethylhexane
(Elsevier ScienceDirect, 2014-01-16)
Iso-paraffinic molecular structures larger than seven carbon atoms in chain length are commonly found in conventional petroleum, Fischer-Tropsch (FT), and other alternative hydrocarbon fuels, but little research has been ...
Optimization of a hydrogen combustion mechanism using both direct and indirect measurements
(Elsevier ScienceDirect, 2014-07-05)
The Keromnes et al. (2013) mechanism for hydrogen combustion has been optimized using a large set of indirect experimental data, consisting of ignition measurements in shock tubes (566 datapoints in 43 datasets) and rapid ...
An experimental and modeling study of propene oxidation. Part 2: Ignition delay time and flame speed measurements
(Elsevier ScienceDirect, 2014-09-11)
Experimental data obtained in this study (Part II) complement the speciation data presented in Part I, but also offer a basis for extensive facility cross-comparisons for both experimental ignition delay time (IDT) and ...
Influence of steam dilution on the ignition of hydrogen, syngas and natural gas blends at elevated pressures
(Elsevier ScienceDirect, 2014-11-10)
This paper presents the influence of steam dilution on the autoignition behaviour of hydrogen, carbon monoxide, syngas, methane, and natural gas mixtures under gas turbine-relevant conditions. Rapid compression machine ...