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 …

[HTML][HTML] Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems

Q Mao, M Feng, XZ Jiang, Y Ren, KH Luo… - Progress in Energy and …, 2023 - Elsevier
Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

[HTML][HTML] Formation and growth mechanisms of polycyclic aromatic hydrocarbons: A mini-review

E Reizer, B Viskolcz, B Fiser - Chemosphere, 2022 - Elsevier
Polycyclic aromatic hydrocarbons (PAHs) are mostly formed during the incomplete
combustion of organic materials, but their importance and presence in materials science …

Combustion chemistry of aromatic hydrocarbons

H Jin, W Yuan, W Li, J Yang, Z Zhou, L Zhao… - Progress in Energy and …, 2023 - Elsevier
Aromatic hydrocarbons are important components of petroleum-based transportation fuels,
biomass, coal, and solid waste, etc. The reaction kinetics of aromatic hydrocarbons largely …

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 …

From theoretical reaction dynamics to chemical modeling of combustion

SJ Klippenstein - Proceedings of the Combustion Institute, 2017 - Elsevier
The chemical modeling of combustion treats the chemical conversion of hundreds of species
through thousands of reactions. Recent advances in theoretical methodologies and …

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 …

A new detailed kinetic model for surrogate fuels: C3MechV3. 3

S Dong, SW Wagnon, LP Maffei, G Kukkadapu… - Applications in Energy …, 2022 - Elsevier
There is an increasing demand for kinetic models of surrogate components to predict the
combustion and emissions of real fuels. In this paper, a new surrogate fuel mechanism …

[HTML][HTML] Examination of a soot model in premixed laminar flames at fuel-rich conditions

W Pejpichestakul, E Ranzi, M Pelucchi… - Proceedings of the …, 2019 - Elsevier
The primary objective of the present work is to collect and review the vast amount of
experimental data on rich laminar premixed flames of hydrocarbon fuels reported in recent …

Formation mechanisms of naphthalene and indene: From the interstellar medium to combustion flames

AM Mebel, A Landera, RI Kaiser - The Journal of Physical …, 2017 - ACS Publications
The article addresses the formation mechanisms of naphthalene and indene, which
represent prototype polycyclic aromatic hydrocarbons (PAH) carrying two six-membered and …