Development of an Ethanol Combustion Mechanism Based on a Hierarchical Optimization Approach

Abstract

A detailed multi-purpose reaction mechanism for ethanol combustion was developed for the use in high-fidelity numerical simulations describing ignition, flame propagation and species concentration profiles with high accuracy. Justified by prior analysis, an optimization of 44 Arrhenius parameters of 14 crucial elementary reactions using several thousand direct and indirect measurement data points was performed, starting from the ethanol combustion mechanism of Saxena and Williams (2007). The final optimized mechanism was compared to 13 reaction mechanisms frequently used in ethanol combustion with respect to their accuracy in reproducing the various types of experimental data.

Development of a Joint Hydrogen and Syngas Combustion Mechanism Based on an Optimization Approach

“…The methodology described above has been used for interpretation of experimental data . Moreover, Varga et al used this method for the optimization of a hydrogen combustion mechanism and it was also employed by Olm et al in creating an optimized ethanol combustion mechanism .…”

Surrogate model for improved simulations of small-scale sludge incineration plants

“… The mechanism by Olm [34] for the surrogate range with ethanol  The mechanism by Qin [35] for the surrogate range with propene  The mechanism by Seiser [36] for the surrogate range with heptane.…”

Review of Oxidation of Gasoline Surrogates and Its Components

“…With a RON/MON of 116.3/101.4, the combustion characteristics of ethanol have been studied extensively using low pressure shock tubes [111][112][113][114], high pressure shock tubes [115][116][117][118], RCMs [118][119][120][121], burners [113,114,122], turbulent flow reactors [113,114,123], and a JSR [114]. Kinetic models of ethanol have been studied and developed by [4,110,112,115,118,119,121,[123][124][125][126][127][128]. In addition, the combustion characteristics of mixtures of ethanol and gasoline were discussed by [124,129].…”

“…The model of Cancino et al [130] still needed improvements as the final model underestimated the ignition delay data for pure ethanol and all combinations of components that featured ethanol. Olm et al [128] recently developed a detailed mechanism by optimizing 44 Arrhenius parameters of 14 crucial elementary reactions in the detailed mechanism created by Saxena and Williams [125]. They validated the model using ignition delay, species concentration, and flame velocity measurements.…”