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 …
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 …
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
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 …
greatest challenges associated with unconventional oil and gas development. The …
The evolution of soot morphology in a laminar coflow diffusion flame of a surrogate for Jet A-1
An experimental study is performed to investigate the evolution of soot morphology in an
atmospheric pressure laminar coflow diffusion flame of a three-component surrogate for Jet …
atmospheric pressure laminar coflow diffusion flame of a three-component surrogate for Jet …
A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures
The clustering of polycyclic aromatic hydrocarbon (PAH) molecules is investigated in the
context of soot particle inception and growth using an isotropic potential developed from the …
context of soot particle inception and growth using an isotropic potential developed from the …
Detailed, sterically-resolved modeling of soot oxidation: Role of O atoms, interplay with particle nanostructure, and emergence of inner particle burning
M Frenklach, Z Liu, RI Singh, GR Galimova… - Combustion and …, 2018 - Elsevier
A newly-developed detailed mechanism of soot oxidation was tested against experimental
observations. The computations were performed at an atomistic level and with a detailed …
observations. The computations were performed at an atomistic level and with a detailed …
Large eddy simulation of soot evolution in an aircraft combustor
ME Mueller, H Pitsch - Physics of Fluids, 2013 - pubs.aip.org
An integrated kinetics-based Large Eddy Simulation (LES) approach for soot evolution in
turbulent reacting flows is applied to the simulation of a Pratt & Whitney aircraft gas turbine …
turbulent reacting flows is applied to the simulation of a Pratt & Whitney aircraft gas turbine …
Modelling the internal structure of nascent soot particles
In this paper we present studies of clusters assembled from polycyclic aromatic hydrocarbon
(PAH) molecules similar in size to small soot particles. The clusters studied were comprised …
(PAH) molecules similar in size to small soot particles. The clusters studied were comprised …
Understanding the formation and growth of polycyclic aromatic hydrocarbons (PAHs) and young soot from n-dodecane in a sooting laminar coflow diffusion flame
The mechanistic pathways of PAH formation and growth remain uncertain. In addition, our
current understanding of the transformation of PAHs into young soot is limited. The PAHs …
current understanding of the transformation of PAHs into young soot is limited. The PAHs …
Size-dependent melting of polycyclic aromatic hydrocarbon nano-clusters: A molecular dynamics study
The size-dependent melting behaviour of clusters of polycyclic aromatic hydrocarbon (PAH)
molecules is studied computationally using the isotropic PAHAP potential (Totton et al …
molecules is studied computationally using the isotropic PAHAP potential (Totton et al …