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 …

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 …

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 …

Quantity of flowback and produced waters from unconventional oil and gas exploration

AJ Kondash, E Albright, A Vengosh - Science of the Total Environment, 2017 - Elsevier
The management and disposal of flowback and produced waters (FP water) is one of the
greatest challenges associated with unconventional oil and gas development. The …

[HTML][HTML] On the early stages of soot formation: Molecular structure elucidation by high-resolution atomic force microscopy

M Commodo, K Kaiser, G De Falco, P Minutolo… - Combustion and …, 2019 - Elsevier
The early stages of soot formation, namely inception and growth, are highly debated and
central to many ongoing studies in combustion research. Here, we provide new insights into …

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 …

Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field

F Castro-Marcano, AM Kamat, MF Russo Jr… - Combustion and …, 2012 - Elsevier
Coal or biomass chars are complex carbonaceous materials that are important energy
sources for electricity production. Reactive molecular dynamics simulations are a useful tool …

Formation of incipient soot particles from polycyclic aromatic hydrocarbons: A ReaxFF molecular dynamics study

Q Mao, ACT Van Duin, KH Luo - Carbon, 2017 - Elsevier
In this study, we present the results from a series of ReaxFF molecular dynamics (MD)
simulations to uncover the underlying mechanisms behind the nucleation and growth of …

Synthesis of freestanding few-layer graphene in microwave plasma: The role of oxygen

P Fortugno, S Musikhin, X Shi, H Wang, H Wiggers… - Carbon, 2022 - Elsevier
We systematically studied the role of oxygen in gas-phase synthesis of graphene in
atmospheric hydrocarbon-fed microwave plasmas. Oxygen is introduced through the use of …

Formation mechanism of polycyclic aromatic hydrocarbons beyond the second aromatic ring

VV Kislov, AI Sadovnikov, AM Mebel - The Journal of Physical …, 2013 - ACS Publications
The formation mechanism of polycyclic aromatic hydrocarbons (PAH) with three fused
aromatic rings starting from naphthalene has been studied using accurate ab initio G3 (MP2 …