A detailed chemical kinetic modeling, ignition delay time and jet-stirred reactor study of methanol oxidation
Metcalfe, Wayne K.
Burke, Sinead M.
Heufer, K. Alexander
Curran, Henry J.
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Burke, U,Metcalfe, WK,Burke, SM,Heufer, KA,Dagaut, P,Curran, HJ (2016) 'A detailed chemical kinetic modeling, ignition delay time and jet-stirred reactor study of methanol oxidation'. Combustion And Flame, 165 :125-136.
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 measurements include dilute and fuel/'air' conditions (1.5-21.9% methanol), over a temperature range of 820-1650 K. The new data has been compared to previously published studies and provides insight into internal combustion engine relevant conditions which are previously un-studied at pressures of 10, 30, 40 and 50 atm. In addition to these ignition delay times, species concentrations have also been measured using a jet-stirred reactor (JSR). In these experiments methanol concentrations of 2000 and 4000 ppm were used at equivalence ratios of 0.2-2.0, at pressures of 1-20 atm, and in the temperature range of 800-1200 K with residence times varying from 0.05-2.00 s. The newly measured experimental data was used to develop a new detailed chemical kinetic model (Mech15.34). This model was also validated using available literature data. The new model is capable of predicting all of the validation data with reasonable accuracy, with some discrepancy in predicting formaldehyde in the JSR data. All of this, results in a robustly validated and accurate, new detailed chemical kinetic model. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.