Browsing School of Chemistry (Scholarly Articles) by Subject "Oxidation"
Now showing items 1-18 of 18
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Autoignition of ethanol in a rapid compression machine
(Elsevier, 2013-12-09)Ethanol is a renewable source of energy and significant attention has been directed to the development of a validated chemical kinetic mechanism for this fuel. The experimental data for the autoignition of ethanol in the ... -
Comparison of the performance of several recent syngas combustion mechanisms
(Elsevier ScienceDirect, 2015-01-22)A large set of experimental data was accumulated for syngas combustion: ignition studies in shock tubes (732 data points in 62 datasets) and in rapid compression machines (492/47), flame velocity determinations (2116/217) ... -
A comprehensive experimental and kinetic modeling study of 1-hexene
(Elsevier, 2021-06-13)It is important to understand the low-temperature chemistry of 1-hexene as it is used as a representative alkene component in gasoline surrogate fuels. Ignition delay times (IDTs) of 1-hexene measured in rapid compression ... -
Decomposition studies of isopropanol in a variable pressure flow reactor
(Oldenbourg Verlag, 2015-04-01)Alternatives to traditional petroleum derived transportation fuels, particularly alcohols, have been investigated increasingly over the last 5 years. Isopropanol has received little attention despite bridging the gap between ... -
An experimental and kinetic modeling study of n-hexane oxidation
(Elsevier, 2015-09-11)Ignition delay times for n-hexane oxidation have been measured in a rapid compression machine (RCM) at stoichiometric conditions and at 15 bar. Due to the high reactivity of n-hexane and non-ideal experimental effects ... -
Experimental and kinetic modeling study of the shock tube ignition of a large oxygenated fuel: tri-propylene glycol mono-methyl ether
(Elsevier, 2015-05-13)Tri-propylene glycol monomethyl ether (TPGME) is an important oxygenated fuel additive that can be used to reduce soot in diesel engines. However, a validated chemical kinetic model that incorporates the low- to high-temperature ... -
An experimental and modeling study of diethyl carbonate oxidation
(Elsevier ScienceDirect, 2015-01-19)Diethyl carbonate (DEC) is an attractive biofuel that can be used to displace petroleum-derived diesel fuel, thereby reducing CO2 and particulate emissions from diesel engines. A better understanding of DEC combustion ... -
An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures
(Elsevier, 2013-08-28)In our previous work (D. Darcy, C.J. Tobin, K. Yasunaga, J.M. Simmie, J. Wurmel, W.K. Metcalfe, T. Niass, S.S. Ahmed, C.K. Westbrook, H.J. Curran, Combust. Flame 159 (2012) 2219-2232), ignition delay times of n-butylbenzene ... -
An experimental and modeling study of the ignition of dimethyl carbonate in shock tubes and rapid compression machine
(Elsevier, 2017-11-05)Ignition delay times of dimethyl carbonate DMC were measured using low- and high-pressure shock tubes and in a rapid compression machine (RCM). In this way, the effect of fuel concentration (0.75% and 1.75%), pressure (2.0, ... -
An experimental and modeling study of the shock tube ignition of a mixture of n-heptane and n-propylbenzene as a surrogate for a large alkyl benzene
(Elsevier ScienceDirect, 2012-07-11)Alkyl aromatics are an important chemical class in gasoline, jet and diesel fuels. In the present work, an n-propylbenzene and n-heptane mixture is studied as a possible surrogate for large alkyl benzenes contained in ... -
An ignition delay time and chemical kinetic modeling study of the pentane isomers
(Elsevier, 2016-10-26)Ignition delay times of n-pentane, iso-pentane, and neo-pentane mixtures were measured in two shock tubes and in a rapid compression machine. The experimental data were used as validation targets for the model described ... -
Ignition delay times, laminar flame speeds, and mechanism validation for natural gas/hydrogen blends at elevated pressures
(Elsevier, 2013-12-30)New experimental ignition delay time data measured in both a shock tube and in a rapid compression machine were taken to determine the increase in reactivity due to the addition of hydrogen to mixtures of methane and natural ... -
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 ... -
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 ... -
Theoretical study of the rate constants for the hydrogen atom abstraction reactions of esters with •OH radicals
(American Chemical Society, 2014-05-30)A systematic investigation of the rate constants for hydrogen atom abstraction reactions by hydroxyl radicals on esters has been performed. The geometry optimizations and frequency calculations were obtained using the ... -
Towards a kinetic understanding of the NOx promoting-effect on ignition of coalbed methane: A case study of methane/nitrogen dioxide mixtures
(Elsevier, 2016-05-03)Nitrogen dioxide (NO2) is an important impurity in coal-bed methane (CBM) and a dominant component of NOx pollution in practical engines. Its promoting effect on methane ignition has been studied in the current experimental ... -
An updated experimental and kinetic modeling study of n-heptane oxidation
(Elsevier ScienceDirect, 2016-07-25)This work presents an updated experimental and kinetic modeling study of n-heptane oxidation. In the experiments, ignition delay times of stoichiometric n-heptaneiair mixtures have been measured in two different high-pressure ... -
Using rapid compression machines for chemical kinetics studies
(Elsevier, 2014-04-26)Rapid compression machines (RCMs) are used to simulate a single compression stroke of an internal combustion engine without some of the complicated swirl bowl geometry, cycle-to-cycle variation, residual gas, and other ...