The low-temperature HyChem-I: Rationale and model development
- Real fuels contain hundreds of components. The impact of differences in the composition of a fuel are more strongly manifested during its oxidation in the low-temperature combustion (LTC) and the negative temperature coefficient (NTC) regimes. These differences make kinetic modeling of real fuel oxidation in these regimes especially challenging. In the present work, we propose an extension of the Hybrid Chemistry (HyChem) approach to modeling high-temperature oxidation of real fuels to the LTC and the NTC regimes. The foundation of this extended approach rests on the phenomenological and kinetic uniqueness of oxidation in this regime. We present arguments that justify a simplified representation of the salient pathways governing the kinetics of a range of fuels, and the selection of target species for experimental measurements for determining model parameters. The LT-HyChem model consists of 13 fuel-specific species and 22 fuel-specific reactions which are supplemented by a detailed foundational fuel chemistry model (USC-Mech II). We also present a methodology for determining these parameters using species time histories measured in the Stanford shock tubes. Finally, we present an initial application of the LT-HyChem approach to a three-component gasoline surrogate (TPRF-60). The model parameters were determined using CO and CH2O time histories measured during the low-temperature oxidation of 0.8% fuel/oxygen mixtures in a shock tube. The performance of the reaction model was then evaluated against ignition delay times (IDTs) of several fuel/air mixtures measured at 20 and 52 atm. Excellent agreement between the model predictions and the measurements was observed for all mixtures, thus supporting the validity, and effectiveness of the LT-HyChem approach proposed herein.
|Type of resource
|March 24, 2023
|March 24, 2023; March 24, 2023
|Davidson, David F.
|Hanson, Ronald K.
|Chemical Kinetics; Low-temperature oxidation; NTC; HyChem; Shock Tubes
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