Understanding of the chemical processes that govern formation and destruction of nitrogen
oxides (NO x) in combustion processes continues to be a challenge. Even though this area …

Although carbon is the central element of organic chemistry, oxygen is the central element of
stereoelectronic control in organic chemistry. Generally, a molecule with a C–O bond has …

Ammonia (NH 3) is relatively less reactive compared to hydrocarbon fuels. Therefore,
ammonia mixtures blended with hydrogen (H 2) have been shown to be a promising fuel for …

A rapid compression machine (RCM) has been applied to measure the ignition delay times
of NH 3/CH 3 OH mixtures covering pressures of 20 and 40 bar, equivalence ratios of 0.5 …

N2 is fixed as NH3 industrially by the Haber–Bosch process under harsh conditions,
whereas biological nitrogen fixation is achieved under ambient conditions, which has …

The Mutation++ library provides accurate and efficient computation of physicochemical
properties associated with partially ionized gases in various degrees of thermal …

Methane oxidation at high pressures and intermediate temperatures was investigated in a
laminar flow reactor and in a rapid compression machine (RCM). The flow-reactor …

This work utilizes a rapid compression machine (RCM) to experimentally quantify
autoignition and preliminary heat release characteristics for blends of 0 to 30% ethanol by …

The new versions of the Pisa composite scheme introduced in the present paper are based
on the careful selection of different quantum chemical models for energies, geometries, and …

Machine learning provides promising new methods for accurate yet rapid prediction of
molecular properties, including thermochemistry, which is an integral component of many …