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 …

Raw natural gas and crude oil contain a variety of sulfurous species such as H 2 S, COS, CS
2, mercaptans, and organosulfur complexes that lead to the formation of SO 2 and other …

Low-defect potassium poly (heptazine imide)(PHIK-BM) was engineered for application in
photocatalytic oxidation of organic substrates. Mechanochemical pretreatment of a mixture …

The cleavage of C–S linkages plays a key role in fuel processing and organic geochemistry.
Water is known to affect these processes, and several hypotheses have been proposed, but …

The autoignition and oxidation behavior of CH4/H2S mixtures has been studied
experimentally in a rapid compression machine (RCM) and a high-pressure flow reactor …

The automated Reaction Mechanism Generator (RMG), using rate parameters derived from
ab initio CCSD (T) calculations, is used to build reaction networks for the thermal …

Sulfur-containing additives are commonly used in industrial steam cracking to mitigate
carbon monoxide (CO) formation. Their impact on solid coke deposition in reactors is well …

The use of non-conventional fuel sources, such as shale gas, brings new research
requisites for its proper use in an environmental friendly manner. In this context, shale gas …

A detailed reaction network is proposed for the pyrolysis and desulfurization of hexyl sulfide
in the presence or absence of both supercritical water (SCW) and hexadecane, but without …

Hydrogen abstraction reactions involving oxygenates in gaseous phase play an important
role in many biomass-related conversion processes. In this work, group additivity is used to …