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 …

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 …

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 …

The importance of accurately modelling soot and radiation coupling in laminar and laboratory-scale turbulent diffusion flames

F Liu, JL Consalvi, F Nmira - Combustion and Flame, 2023 - Elsevier
Ultrafine and highly light absorbing soot particles have been known to be harmful to human
health and a major climate forcer. Understanding the mechanisms of soot formation and …

A ReaxFF molecular dynamics study of polycyclic aromatic hydrocarbon oxidation assisted by nitrogen oxides

Y Wang, Q Mao, Z Wang, KH Luo, L Zhou, H Wei - Combustion and Flame, 2023 - Elsevier
Fossil fuel-derived soot poses a persistent problem. A joint reduction is conducted via the
reaction between NO x and soot. The underlying reaction mechanisms of large polycyclic …

Comprehensive Kinetics on the C7H7 Potential Energy Surface under Combustion Conditions

C Martí, HA Michelsen, HN Najm… - The Journal of Physical …, 2023 - ACS Publications
The automated kinetics workflow code, KinBot, was used to explore and characterize the
regions of the C7H7 potential energy surface that are relevant to combustion environments …

The Identity and Chemistry of C7H7 Radicals Observed during Soot Formation

JA Rundel, C Martí, J Zádor, PE Schrader… - The Journal of …, 2023 - ACS Publications
We used aerosol mass spectrometry coupled with tunable synchrotron photoionization to
measure radical and closed-shell species associated with particle formation in premixed …

C7 reaction mechanism and its self-imitation in the kinetic modeling of PAH formation

H Jin, A Farooq - Combustion and Flame, 2023 - Elsevier
Polycyclic aromatic hydrocarbons (PAHs), serving as critical soot precursors, are formed via
complicated chemical processes, such as the first aromatic ring formation and the aromatic …

[HTML][HTML] A detailed kinetic model for aromatics formation from small hydrocarbon and gasoline surrogate fuel combustion

R Langer, Q Mao, H Pitsch - Combustion and Flame, 2023 - Elsevier
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 …

Effect of alkyl substituent for cyclohexane on pyrolysis towards sooting tendency from theoretical principle

L Liu, S Chen, H Xu, Q Zhu, H Ren - Journal of Analytical and Applied …, 2022 - Elsevier
The fuel structure is an important controlling factor during the process of soot formation.
Alkylated cyclohexane is a typical surrogate fuel with more complex structure than alkanes …