Browsing School of Chemistry by Author "Metcalfe, Wayne K."
Now showing items 1-9 of 9
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Autoignition of ethanol in a rapid compression machine
Mittal, Gaurav; Burke, Sinéad M.; Davies, Varun A.; Parajuli, Bikash; Metcalfe, Wayne K.; Curran, Henry J. (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 ... -
A detailed chemical kinetic modeling, ignition delay time and jet-stirred reactor study of methanol oxidation
Burke, Ultan; Metcalfe, Wayne K.; Burke, Sinead M.; Heufer, K. Alexander; Dagaut, Philippe; Curran, Henry J. (Elsevier, 2016-01-29)A shock tube (ST) and a rapid compression machine (RCM) have been used to measure new ignition delay times for methanol oxidation over a wide range of pressures (2-50 atm) and equivalence ratios (0.5, 1.0, and 2.0). These ... -
An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures
Nakamura, Hisashi; Darcy, Daniel; Mehl, Marco; Tobin, Colin J.; Metcalfe, Wayne K.; Pitz, William J.; Westbrook, Charles K.; Curran, Henry J. (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 surrogate mixtures of n-propyl- and n-butylbenzene in n-heptane to simulate n-decylbenzene ignition
Darcy, D,Nakamura, H,Tobin, CJ,Mehl, M,Metcalfe, WK,Pitz, WJ,Westbrook, CK,Curran, HJ; Darcy, Daniel; Nakamura, Hisashi; Tobin, Colin J.; Mehl, Marco; Metcalfe, Wayne K.; Pitz, William J.; Westbrook, Charles K.; Curran, Henry J. (Elsevier ScienceDirect, 2014-01-11)This paper presents experimental data for the oxidation of two surrogates for the large alkylbenzene class of compounds contained in diesel fuels, namely n-decylbenzene. A 57:43 molar% mixture of n-propylbenzene:n-heptane ... -
An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures
Burke, Ultan; Somers, Kieran P.; O’Toole, Peter; Zinner, Chis M.; Marquet, Nicolas; Bourque, Gilles; Petersen, Eric L.; Metcalfe, Wayne K.; Serinyel, Zeynep; Curran, Henry J. (Elsevier ScienceDirect, 2014-09-29)The development of accurate chemical kinetic models capable of predicting the combustion of methane and dimethyl ether in common combustion environments such as compression ignition engines and gas turbines is important ... -
Ignition delay times, laminar flame speeds, and mechanism validation for natural gas/hydrogen blends at elevated pressures
Donohoe, Nicola; Heufer, Alexander; Metcalfe, Wayne K.; Curran, Henry J.; Davis, Marissa L.; Mathieu, Olivier; Plichta, Drew; Morones, Anibal; Petersen, Eric L.; Güthe, Felix (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 ... -
Oxidation of ethylene-air mixtures at elevated pressures, part 1: experimental results
Kopp, Madeleine M.; Donato, Nicole S.; Petersen, Eric L.; Metcalfe, Wayne K.; Burke, Sinéad M.; Curran, Henry J. (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
Kopp, Madeleine M.; Donato, Nicole S.; Petersen, Eric L.; Metcalfe, Wayne K.; Burke, Sinéad M.; Curran, Henry J. (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 ... -
The pyrolysis of 2-methylfuran: a quantum chemical, statistical rate theory and kinetic modelling study
Somers, Kieran P.; Simmie, John M.; Metcalfe, Wayne K.; Curran, Henry J. (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 ...