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 …

Ongoing progress in synthetic biology, metabolic engineering, and catalysis continues to
produce a diverse array of advanced biofuels with complex molecular structure and …

The kinetic modeling of the pyrolysis and combustion of liquid transportation fuels is a very
complex task for two different reasons: the challenging characterization of the complex …

A detailed chemical kinetic reaction mechanism is developed for the five major components
of soy biodiesel and rapeseed biodiesel fuels. These components, methyl stearate, methyl …

The motivation for and challenges in reducing the world's dependence on crude oil while
simultaneously improving engine performance through better fuel efficiency and reduced …

The unimolecular reactions of hydroperoxy alkyl radicals (QOOH) play a central role in the
low-temperature oxidation of hydrocarbons as they compete with the addition of a second …

Density functional theory calculations (ωB97X-D) are reported for the reactions of methoxy,
tert-butoxy, trichloroethoxy, and trifluoroethoxy radicals with a series of 26 C–H bonds in …

Due to growing environmental concerns and diminishing petroleum reserves, a wide range
of oxygenated species has been proposed as possible substitutes to fossil fuels: alcohols …

This review describes major features of current research in renewable fuels derived from
plants and from fatty acids. Recent and ongoing fundamental studies of biofuel molecular …

Completely automated mechanism generation of detailed kinetic models is within reach in
the coming decade. The recent developments in this field of chemical reaction engineering …