Soot inception: Carbonaceous nanoparticle formation in flames

JW Martin, M Salamanca, M Kraft - Progress in Energy and Combustion …, 2022 - Elsevier
The route by which gas-phase molecules in hydrocarbon flames form condensed-phase
carbonaceous nanoparticles (incipient soot) is reviewed. These products of incomplete …

[HTML][HTML] Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems

Q Mao, M Feng, XZ Jiang, Y Ren, KH Luo… - Progress in Energy and …, 2023 - Elsevier
Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

A review of terminology used to describe soot formation and evolution under combustion and pyrolytic conditions

HA Michelsen, MB Colket, PE Bengtsson, A D'anna… - ACS …, 2020 - ACS Publications
This review presents a glossary and review of terminology used to describe the chemical
and physical processes involved in soot formation and evolution and is intended to aid in …

Soot formation in laminar counterflow flames

Y Wang, SH Chung - Progress in Energy and Combustion Science, 2019 - Elsevier
Many practical soot-emitting combustion systems such as diesel and jet engines rely on
diffusion flames for efficient and reliable operation. Efforts to mitigate soot emissions from …

Combustion chemistry of aromatic hydrocarbons

H Jin, W Yuan, W Li, J Yang, Z Zhou, L Zhao… - Progress in Energy and …, 2023 - Elsevier
Aromatic hydrocarbons are important components of petroleum-based transportation fuels,
biomass, coal, and solid waste, etc. The reaction kinetics of aromatic hydrocarbons largely …

Soot formation during biomass gasification: A critical review

Q He, Q Guo, K Umeki, L Ding, F Wang, G Yu - Renewable and Sustainable …, 2021 - Elsevier
Biomass gasification is a promising technology in current and future low carbon energy
systems. Soot formation is a great technical challenge for the industrialization of biomass …

On the mechanism of soot nucleation

M Frenklach, AM Mebel - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
The mechanism of carbon particulate (soot) inception has been a subject of numerous
studies and debates. The article begins with a critical review of prior proposals, proceeds to …

Synthesis of metal oxide nanoparticles in flame sprays: review on process technology, modeling, and diagnostics

F Meierhofer, U Fritsching - Energy & Fuels, 2021 - ACS Publications
The gas synthesis of nanoparticles has gained major interest by different industries and
research groups for the development of new materials and their subsequent implementation …

ReaxFF molecular dynamics simulations of thermal reactivity of various fuels in pyrolysis and combustion

X Li, M Zheng, C Ren, L Guo - Energy & Fuels, 2021 - ACS Publications
The methodology development and applications of ReaxFF molecular dynamics (ReaxFF
MD) in unraveling the complex reactions and kinetics for pyrolysis and oxidation of organic …

Portraits of soot molecules reveal pathways to large aromatics, five-/seven-membered rings, and inception through π-radical localization

LA Lieske, M Commodo, JW Martin, K Kaiser… - ACS …, 2023 - ACS Publications
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 …