Soot formation in laminar counterflow flames
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 …
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 …
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 …
Combustion in the future: The importance of chemistry
K Kohse-Höinghaus - Proceedings of the Combustion Institute, 2021 - Elsevier
Combustion involves chemical reactions that are often highly exothermic. Combustion
systems utilize the energy of chemical compounds released during this reactive process for …
systems utilize the energy of chemical compounds released during this reactive process for …
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 …
On the low-temperature limit of HACA
M Frenklach, RI Singh, AM Mebel - Proceedings of the Combustion Institute, 2019 - Elsevier
Rates of two mechanisms, hydrogen abstraction C 2 H 2 (carbon) addition (HACA) and C 2
H 2 (carbon) addition hydrogen migration (CAHM), were intercompared with each other at …
H 2 (carbon) addition hydrogen migration (CAHM), were intercompared with each other at …
Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms
Hydrogen abstraction reactions of polycyclic aromatic hydrocarbons (PAH) by H atoms play
a very important role in both PAH and soot formation processes. However, large …
a very important role in both PAH and soot formation processes. However, large …
The polarization of polycyclic aromatic hydrocarbons curved by pentagon incorporation: the role of the flexoelectric dipole
Curvature in polyaromatic hydrocarbons (PAHs), due to pentagon inclusion, produces a
dipole moment that contributes significantly to self-assembly processes and adsorption at …
dipole moment that contributes significantly to self-assembly processes and adsorption at …
[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 …
Polar curved polycyclic aromatic hydrocarbons in soot formation
In this paper, we consider the impact of polar curved polycyclic aromatic hydrocarbons
(cPAH) on the process of soot formation by employing electronic structure calculations to …
(cPAH) on the process of soot formation by employing electronic structure calculations to …