Over the last 20 to 25 years theoretical chemistry (particularly theoretical chemical kinetics)
has played an increasingly important role in develo** chemical kinetics models for …

The current increasing interest in hydrogen utilization and increasing understanding of
hydrogen combustion motivate this review of flammability characteristics of hydrogen. The …

This paper discusses a brief history of chemical kinetic modeling, with some emphasis on
the development of chemical kinetic mechanisms describing fuel oxidation. At high …

This work introduces a newly developed reaction mechanism for the oxidation of ammonia
in freely propagating and burner-stabilized premixed flames as well as shock-tube, jet …

We consider an alternative formulation of the master equation for complex-forming chemical
reactions with multiple wells and bimolecular products. Within this formulation the dynamical …

The chemical modeling of combustion treats the chemical conversion of hundreds of species
through thousands of reactions. Recent advances in theoretical methodologies and …

Recent suggestion by Burke and Klippenstein (2017) that chemically termolecular reactions
H+ O 2+ R may significantly affect kinetic pathways under common combustion situations …

In this work, we propose a novel data-driven approach for detailed kinetic mechanisms
optimization. The approach is founded on a curve matching-based objective function and …

The current interest in the combustion chemistry of hydrocarbon fuels, including the various
alcohol and biodiesel compounds, motivates this review of the methods and application of …

ABSTRACT A comprehensive and hierarchical optimization of a joint hydrogen and syngas
combustion mechanism has been carried out. The Kéromnès et al.(Combust Flame, 2013 …