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 …
Soot formation mechanism of modern automobile engines and methods of reducing soot emissions: A review
E Jiaqiang, W Xu, Y Ma, D Tan, Q Peng, Y Tan… - Fuel Processing …, 2022 - Elsevier
As the main pollutant emitted by automobile engines, soot particles have brought great harm
to the environment and human health. However, the soot formation process in automobile …
to the environment and human health. However, the soot formation process in automobile …
Vapor-phase production of nanomaterials
M Malekzadeh, MT Swihart - Chemical Society Reviews, 2021 - pubs.rsc.org
The synthesis of nanomaterials, with characteristic dimensions of 1 to 100 nm, is a key
component of nanotechnology. Vapor-phase synthesis of nanomaterials has numerous …
component of nanotechnology. Vapor-phase synthesis of nanomaterials has numerous …
Chemical effects of hydrogen addition on soot formation in counterflow diffusion flames: Dependence on fuel type and oxidizer composition
We experimentally studied and kinetically modeled the effects of hydrogen addition on soot
formation in methane and ethylene counterflow diffusion flames (CDFs). To isolate the …
formation in methane and ethylene counterflow diffusion flames (CDFs). To isolate the …
Soot formation in methane pyrolysis reactor: Modeling soot growth and particle characterization
Methane pyrolysis is a very attractive and climate-friendly process for hydrogen production
and the sequestration of carbon as solid material. The formation of soot particles in methane …
and the sequestration of carbon as solid material. The formation of soot particles in methane …
Determination of the volume fraction of soot accounting for its composition and morphology
GA Kelesidis, SE Pratsinis - Proceedings of the Combustion Institute, 2021 - Elsevier
The soot volume fraction, fv, is essential for combustion engineering, air quality and climate
modeling. It is commonly obtained from mobility or optical data assuming soot spheres of …
modeling. It is commonly obtained from mobility or optical data assuming soot spheres of …
On the coagulation efficiency of carbonaceous nanoparticles
In this paper we derived the interaction energy between two spherical nanoparticles from the
pair-wise Lennard-Jones attractive and repulsive potentials of the constituent atoms of the …
pair-wise Lennard-Jones attractive and repulsive potentials of the constituent atoms of the …
On the mechanism of soot nucleation. II. E-bridge formation at the PAH bay
AS Semenikhin, AS Savchenkova… - Physical Chemistry …, 2020 - pubs.rsc.org
A recently proposed mechanism of soot nucleation (M. Frenklach and AM Mebel, Phys.
Chem. Chem. Phys., 2020, 22, 5314–5331) based upon the formation of a rotationally …
Chem. Chem. Phys., 2020, 22, 5314–5331) based upon the formation of a rotationally …
On the reactive coagulation of incipient soot nanoparticles
In this work, we studied the coagulation process of two PAH clusters with diameter∼ 2 nm
using reactive molecular dynamics (MD) simulations. To describe the coagulation process …
using reactive molecular dynamics (MD) simulations. To describe the coagulation process …
Acceleration of a chemical reaction due to nonequilibrium collisional dynamics: dimerization of polyaromatics
AN Morozov, AM Mebel… - The Journal of Physical …, 2022 - ACS Publications
Nonequilibrium precursor mediated kinetics has been discovered for reactions of gaseous
molecules at high temperatures. A theoretical analysis was carried out on dimerization of …
molecules at high temperatures. A theoretical analysis was carried out on dimerization of …