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 …
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 …
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 …
Multiscale computational understanding and growth of 2D materials: a review
The successful discovery and isolation of graphene in 2004, and the subsequent synthesis
of layered semiconductors and heterostructures beyond graphene have led to the exploding …
of layered semiconductors and heterostructures beyond graphene have led to the exploding …
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 …
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 …
Lead remediation using smart materials. A review
The nanoparticles have been prepared and employed as excellent adsorbents for the
sequestration of heavy metal ions and hazardous impurities from the aqueous media. The …
sequestration of heavy metal ions and hazardous impurities from the aqueous media. The …