Soot inception: Carbonaceous nanoparticle formation in flames
The route by which gas-phase molecules in hydrocarbon flames form condensed-phase
carbonaceous nanoparticles (incipient soot) is reviewed. These products of incomplete …
carbonaceous nanoparticles (incipient soot) is reviewed. These products of incomplete …
Modeling soot formation in flames and reactors: Recent progress and current challenges
MJ Thomson - Proceedings of the Combustion Institute, 2023 - Elsevier
The study of soot has long been motivated by its adverse impacts on health and the
environment. However, this combustion knowledge is also relevant to the production of …
environment. However, this combustion knowledge is also relevant to the production of …
Portraits of soot molecules reveal pathways to large aromatics, five-/seven-membered rings, and inception through π-radical localization
Incipient soot early in the flame was studied by high-resolution atomic force microscopy and
scanning tunneling microscopy to resolve the atomic structure and orbital densities of single …
scanning tunneling microscopy to resolve the atomic structure and orbital densities of single …
π-Diradical aromatic soot precursors in flames
Soot emitted from incomplete combustion of hydrocarbon fuels contributes to global
warming and causes human disease. The mechanism by which soot nanoparticles form …
warming and causes human disease. The mechanism by which soot nanoparticles form …
Understanding soot formation: A comprehensive analysis using reactive models in Inverse Non-Premixed Flames
Soot particles produced during the combustion of hydrocarbon fuels pose significant health
and environmental risks while also holding potential for various industrial applications …
and environmental risks while also holding potential for various industrial applications …
HOMO–LUMO gaps and molecular structures of polycyclic aromatic hydrocarbons in soot formation
A large number of PAH molecules is collected from recent literature. The HOMO-LUMO gap
value of PAHs was computed at the level of B3LYP/6-311+ G (d, p). The gap values lie in the …
value of PAHs was computed at the level of B3LYP/6-311+ G (d, p). The gap values lie in the …
[HTML][HTML] A detailed kinetic model for aromatics formation from small hydrocarbon and gasoline surrogate fuel combustion
This work develops a detailed chemical kinetic model for Polycyclic Aromatic Hydrocarbon
(PAH) chemistry that builds on a chemical model for gasoline surrogates by Cai et al.[Proc …
(PAH) chemistry that builds on a chemical model for gasoline surrogates by Cai et al.[Proc …
Mechanisms of soot thermal decomposition: Reactive molecular dynamics study
Understanding the mechanisms of soot formation and decomposition is important for
reduction of harmful emissions from combustion. Soot sublimation temperature varies in a …
reduction of harmful emissions from combustion. Soot sublimation temperature varies in a …
The role of oxygenated species in the growth of graphene, fullerenes and carbonaceous particles
The growth of carbonaceous materials was studied using a Kinetic Monte Carlo model that
captures the growth and oxidation of six-member and partially-embedded five-member …
captures the growth and oxidation of six-member and partially-embedded five-member …
The impact of cyclic fuels on the formation and structure of soot
This paper investigates the impact of cyclic fuels on the nanostructure, nucleation and
overall production of soot in an n-heptane (C 7 H 16) laminar coflow diffusion flame. The …
overall production of soot in an n-heptane (C 7 H 16) laminar coflow diffusion flame. The …