The route by which gas-phase molecules in hydrocarbon flames form condensed-phase
carbonaceous nanoparticles (incipient soot) is reviewed. These products of incomplete …

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

The current state-of-the-art analysis techniques for petroleum fractions has progressed
substantially during the past decade. This has helped to further improve the lumping …

A detailed modeling of simultaneous UV-photochemical and thermochemical processes in
exoplanet atmosphere-like conditions is essential for the analysis and interpretation of a vast …

Considering the important effect of coal volatiles combustion on coal-fired organic pollutants
formation, coal pyrolysis gas was selected as fuel in this work. Spatial profiles of light …

Abstract Using Reaction Mechanism Generator (RMG), we have automatically constructed a
detailed mechanism for acetylene pyrolysis, which predicts formation of polycyclic aromatic …

This study developed neural network potentials (NNPs) specifically tailored for pure
ethylene and ethylene-ammonia blended systems for the first time. The NNPs were trained …

In combustion, acetylene is a key species in molecular-weight growth reactions that form
polycyclic aromatic hydrocarbons (PAHs) and ultimately soot particles. Radical addition to …

The formation of polycyclic aromatic hydrocarbons (PAHs) during combustion has a
substantial impact on environmental pollution and public health. The hydrogen-abstraction …

To investigate the role of five-membered rings in the growth of polycyclic aromatic
hydrocarbons (PAHs) in flames, the conversion of acenaphthylene to pyrene with substituted …