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Optimized reaction mechanism rate rules for ignition of normal alkanes

Cai, Liming; Pitsch, Heinz; Mohamed, Samah Y.; Raman, Venkat; Bugler, John; Curran, Henry J.; Sarathy, S.Mani (Elsevier, 2016-08-10)

The increasing demand for cleaner combustion and reduced greenhouse gas emissions motivates research on the combustion of hydrocarbon fuels and their surrogates. Accurate detailed chemical kinetic models are an important ...

Modeling ignition of a heptane isomer: improved thermodynamics, reaction pathways, kinetics, and rate rule optimizations for 2-methylhexane

Mohamed, Samah Y.; Cai, Liming; Khaled, Fethi; Banyon, Colin; Wang, Zhandong; Al Rashidi, Mariam J.; Pitsch, Heinz; Curran, Henry J.; Farooq, Aamir; Sarathy, S. Mani (American Chemical Society, 2016-03-21)

Accurate chemical kinetic combustion models of lightly branched alkanes (e.g., 2-methylalkanes) are important to investigate the combustion behavior of real fuels. Improving the fidelity of existing kinetic models is a ...