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 …

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 …

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 …

Butenes are intermediates ubiquitously formed by decomposition and oxidation of larger
hydrocarbons (eg alkanes) or alcohols present in conventional or reformulated fuels. In this …

This work presents an updated experimental and kinetic modeling study of n-heptane
oxidation. In the experiments, ignition delay times of stoichiometric n-heptane/air mixtures …

Ammonia is considered to be one of the promising energy carriers in the future and reliable
chemical kinetics to accurately predict ignition characteristics of ammonia/air mixtures is …

Rapid compression machines (RCMs) are widely used to acquire experimental insights into
fuel autoignition and pollutant formation chemistry, especially at conditions relevant to …

Sustainably produced biofuels, especially when they are derived from lignocellulosic
biomass, are being discussed intensively for future ground transportation. Traditionally …

Combustion involves chemical reactions that are often highly exothermic. Combustion
systems utilize the energy of chemical compounds released during this reactive process for …

At a first glance, ethanol, toluene and methyl tert-butyl ether look nothing alike with respect
to their molecular structures. Nevertheless, all share a similarly high octane number. A …