Combustion is a reactive oxidation process that releases energy bound in chemical
compounds used as fuels─ energy that is needed for power generation, transportation …

Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

Highly oxygenated organic molecules (HOM) are formed in the atmosphere via autoxidation
involving peroxy radicals arising from volatile organic compounds (VOC). HOM condense on …

Generally, the homogeneous charge compression ignition (HCCI) engine presents superior
fuel economy and ultra-low NOx and particle matter emissions compared with the traditional …

Aromatic hydrocarbons are important components of petroleum-based transportation fuels,
biomass, coal, and solid waste, etc. The reaction kinetics of aromatic hydrocarbons largely …

Knocking combustion research is crucially important because it determines engine
durability, fuel consumption, and power density, as well as noise and emission performance …

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

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 …

Petroleum-derived gasoline is currently the most widely used fuel for transportation
propulsion. The design and operation of gasoline fuels is governed by specific physical and …

Alternative transportation fuels, preferably from renewable sources, include alcohols with up
to five or even more carbon atoms. They are considered promising because they can be …