Optimized reaction mechanism rate rules for ignition of normal alkanes

by L. Cai, H. Pitsch, S.Y. Mohamed, V. Raman, J. Bugler, H. Curran, S.M. Sarathy
Year:2016

Bibliography

Optimized reaction mechanism rate rules for ignition of normal alkanes
L. Cai, H. Pitsch, S.Y. Mohamed, V. Raman, J. Bugler, H. Curran, S.M. Sarathy
Combustion and Flame ,173, pp. 468-482, (2016)

Abstract

​Since real petroleum fuels are composed of a huge variety of hydrocarbon components, surrogate mixtures of various hydrocarbon fuels are typically employed in computational research and in engine development to represent transportation fuels. In this study, a reduced combustion mechanism of Primary Reference Fuel (PRF) mixtures (n-heptane and iso-octane) is integrated into the published kinetic model (Narayanaswamy et al., 2010), allowing for the formulation of multi-component surrogate fuels (e.g. PRF/toluene) and for the prediction of Polycyclic Aromatic Hydrocarbon (PAH) formation in gasoline engines. In order to optimize the model performance, a recently developed optimization technique based on rate rules (Cai and Pitsch, 2014) is extended in this study. The goal is to calibrate automatically the multi-component kinetic mechanism, which also leads to a chemically consistent PRF mechanism and a computational advantage for the calibration process. In addition, this work contributes to the development of general rate rules for various hydrocarbon fuels. An ethanol model is also incorporated into the proposed mechanism. This facilitates the prediction of gasoline/ethanol blend combustion. The resulting mechanism retains a compact size and is successfully validated against experimental measurements.

Keywords

PRF/toluene/ethanol Gasoline Surrogate Optimization Uncertainty Quantification
KAUST

"KAUST shall be a beacon for peace, hope and reconciliation, and shall serve the people of the Kingdom and the world."

King Abdullah bin Abdulaziz Al Saud, 1924 – 2015

Contact Us

  • 4700 King Abdullah University of Science and Technology

    Thuwal 23955-6900, Kingdom of Saudi Arabia

Quick links

© King Abdullah University of Science and Technology. All rights reserved