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Reactive polycyclic aromatic hydrocarbon dimerization drives soot nucleation

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Simultaneous detection of two types of soot precursor particles using photoionization mass spectrometry

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Carbonization and graphitization

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Transport properties of polycyclic aromatic hydrocarbons for flame modeling☆

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The core–shell internal nanostructure of soot – A criterion to model soot maturity

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Morphology and mobility diameter of carbonaceous aerosols during agglomeration and surface growth

inferredcites →https://doi.org/10.1016/j.combustflame.2008.12.007openalex-snapshot

Chemical mechanism for high temperature combustion of engine relevant fuels with emphasis on soot precursors

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Analyzing the effects of temperature on soot formation with a joint volume-surface-hydrogen model

inferredcites →https://doi.org/10.1016/j.combustflame.2009.05.010openalex-snapshot

Quantitative measurement of soot particle size distribution in premixed flames – The burner-stabilized stagnation flame approach

inferredcites →https://doi.org/10.1016/j.combustflame.2011.03.005openalex-snapshot

Observations of nascent soot: Molecular deposition and particle morphology

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A wide range kinetic modeling study of pyrolysis and oxidation of benzene

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Experimental investigation and detailed modeling of soot aggregate formation and size distribution in laminar coflow diffusion flames of Jet A-1, a synthetic kerosene, and n-decane

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Solid–liquid transitions in homogenous ovalene, hexabenzocoronene and circumcoronene clusters: A molecular dynamics study

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Kinetic modeling of particle size distribution of soot in a premixed burner-stabilized stagnation ethylene flame

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Investigating repetitive reaction pathways for the formation of polycyclic aromatic hydrocarbons in combustion processes

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Modelling TiO 2 formation in a stagnation flame using method of moments with interpolative closure

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Comparative study of the soot formation process in a “nucleation” and a “sooting” low pressure premixed methane flame

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Soot particles inception and PAH condensation modelling applied in a soot model utilizing a sectional method

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Modeling of PAHs in low pressure sooting premixed methane flame

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Particle size distribution function of incipient soot in laminar premixed ethylene flames: effect of flame temperature

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Aromatic excimers: evidence for polynuclear aromatic hydrocarbon condensation in flames

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Peri-condensed aromatics with aliphatic chains as key intermediates for the nucleation of aromatic hydrocarbons

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Formation of nascent soot and other condensed-phase materials in flames

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Thermodynamics of poly-aromatic hydrocarbon clustering and the effects of substituted aliphatic chains

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Soot precursor formation and limitations of the stabilomer grid

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The importance of reversibility in modeling soot nucleation and condensation processes

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Soot nanostructure evolution in premixed flames by High Resolution Electron Transmission Microscopy (HRTEM)

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PAH formation and soot morphology in flames of C4 fuels

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Assessing relative contributions of PAHs to soot mass by reversible heterogeneous nucleation and condensation

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Probing soot formation, chemical and physical evolution, and oxidation: A review of in situ diagnostic techniques and needs

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Oxygen driven soot formation

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A reaction pathway for nanoparticle formation in rich premixed flames

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Measurement and numerical simulation of soot particle size distribution functions in a laminar premixed ethylene-oxygen-argon flame

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A detailed kinetic modeling study of aromatics formation in laminar premixed acetylene and ethylene flames

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The evolution of soot precursor particles in a diffusion flame

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The kinetics of polynuclear aromatic hydrocarbon agglomeration in flames

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Detailed modeling of soot particle nucleation and growth

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Calculations of the dimerization of aromatic hydrocarbons: Implications for soot formation

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Clustering at high temperatures: carbon formation in combustion

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Nucleation of soot: Molecular dynamics simulations of pyrene dimerization

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Additivity rules for the estimation of thermochemical properties

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High-temperature stabilities of hydrocarbons

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Intermolecular potential calculations for polycyclic aromatic hydrocarbons

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Theoretical Investigation of Soot Nanoparticle Inception via Polycyclic Aromatic Hydrocarbon Coagulation (Condensation): Energetic, Structural, and Electronic Features

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Carbonaceous Nanoparticle Molecular Inception from Radical Addition and van der Waals Coagulation of Polycyclic Aromatic Hydrocarbon-Based Systems. A Theoretical Study

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Intermolecular Potential Calculations for Polynuclear Aromatic Hydrocarbon Clusters

inferredcites →https://doi.org/10.1021/jz101033topenalex-snapshot

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A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures

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Stochastic atomistic simulation of polycyclic aromatic hydrocarbon growth in combustion

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Extinction measurements for optical band gap determination of soot in a series of nitrogen-diluted ethylene/air non-premixed flames

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Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms

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Dynamics and kinetics of reversible homo-molecular dimerization of polycyclic aromatic hydrocarbons

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Reactive Dimerization: A New PAH Growth Mechanism in Flames

inferredcites →https://doi.org/10.1080/00102209608935589openalex-snapshot

Carbonization Rate of Soot Precursor Particles

inferredcites →https://doi.org/10.1080/02786826.2017.1355047openalex-snapshot

Evolution of maturity levels of the particle surface and bulk during soot growth and oxidation in a flame

inferredcites →https://doi.org/10.1080/713712954openalex-snapshot

Mechanistic pathways to explain H/C ratio of soot precursors

inferredcites →https://doi.org/10.1201/b11072-17openalex-snapshot

Mechanical Engineering

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Char dominates black carbon aerosol emission and its historic reduction in China

inferred← citeshttps://doi.org/10.1038/s42004-020-00357-2openalex-snapshot

Evidence on the formation of dimers of polycyclic aromatic hydrocarbons in a laminar diffusion flame

inferred← citeshttps://doi.org/10.1038/s42004-023-00896-4openalex-snapshot

Investigation of resonance-stabilized radicals associated with soot particle inception using advanced electron paramagnetic resonance techniques

inferred← citeshttps://doi.org/10.1038/s42004-025-01689-7openalex-snapshot

Direct observation and identification of resonance-stabilized radicals in a sooting flame

inferred← citeshttps://doi.org/10.1039/c8cp07724jopenalex-snapshot

Coarse-grained modeling of the nucleation of polycyclic aromatic hydrocarbons into soot precursors

inferred← citeshttps://doi.org/10.1039/c9cp00394kopenalex-snapshot

Dimers of polycyclic aromatic hydrocarbons: the missing pieces in the soot formation process

inferred← citeshttps://doi.org/10.1039/c9cp01122fopenalex-snapshot

The mechanism and rate constants for oxidation of indenyl radical C 9 H 7 with molecular oxygen O 2 : a theoretical study

inferred← citeshttps://doi.org/10.1039/c9cp02027fopenalex-snapshot

Predicting aromatic exciplex fluorescence emission energies

inferred← citeshttps://doi.org/10.1039/d0cp00116copenalex-snapshot

On the mechanism of soot nucleation

inferred← citeshttps://doi.org/10.1039/d0cp02622kopenalex-snapshot

Atomistic simulations of the aggregation of small aromatic molecules in homogenous and heterogenous mixtures

inferred← citeshttps://doi.org/10.1039/d1cp01019kopenalex-snapshot

Steered molecular dynamics and stability analysis on PAH dimerisation and condensation on fullerene and soot surfaces

inferred← citeshttps://doi.org/10.1039/d3re00360dopenalex-snapshot

Pyrolysis of biogas for carbon capture and carbon dioxide-free production of hydrogen

inferred← citeshttps://doi.org/10.1063/1.5100264openalex-snapshot

Thermal evaporation of pyrene clusters

inferred← citeshttps://doi.org/10.1063/5.0083253openalex-snapshot

Dimerization of dehydrogenated polycyclic aromatic hydrocarbons on graphene

inferred← citeshttps://doi.org/10.1063/5.0252957openalex-snapshot

Conformational fluxionality of long-chain alkene clusters in the gas phase evidenced from a combined experimental and theoretical approach

inferred← citeshttps://doi.org/10.1073/pnas.2503292122openalex-snapshot

Resonance-stabilized radical clustering bridges the gap between gaseous precursors and soot in the inception stage

inferred← citeshttps://doi.org/10.1080/02786826.2022.2064734openalex-snapshot

A consistent soot nucleation model for improved prediction of strain rate sensitivity in ethylene/air counterflow flames

inferred← citeshttps://doi.org/10.1080/02786826.2025.2480625openalex-snapshot

Nucleation rate of carbonaceous nanoparticles by n-heptane pyrolysis at high pressure and temperature via molecular dynamics simulations

inferred← citeshttps://doi.org/10.1080/08927022.2025.2608866openalex-snapshot

Dynamics of aromatic crosslinked hydrocarbons’ association and dissociation

inferred← citeshttps://doi.org/10.1080/23311916.2022.2130192openalex-snapshot

Mechanistic comparison of N 2 and H 2 dilution effects on soot formation processes in laminar ethylene diffusion flames

inferred← citeshttps://doi.org/10.1177/1468087420910886openalex-snapshot

Effects of alcohol addition to traditional fuels on soot formation: A review

inferred← citeshttps://doi.org/10.1515/ijcre-2021-0258openalex-snapshot

NanoParticle Flow Reactor (NanoPFR): a tested model for simulating carbon nanoparticle formation in flow reactors

inferred← citeshttps://doi.org/10.1515/pac-2018-0608openalex-snapshot

A new era for combustion research

inferred← citeshttps://doi.org/10.1515/zpch-2020-1638openalex-snapshot

Nucleation of soot: experimental assessment of the role of polycyclic aromatic hydrocarbon (PAH) dimers

inferred← citeshttps://doi.org/10.18698/1812-3368-2023-4-79-107openalex-snapshot

Investigation of the PAH and Carbon Nanoparticles Formation Processes in the Ethylene Pyrolysis with the Tetrahydrofuran Addition Behind the Shock Waves

inferred← citeshttps://doi.org/10.31224/osf.io/4hq8xopenalex-snapshot

A predictive model for the aggregation of polycyclic aromatic compounds

inferred← citeshttps://doi.org/10.32920/26052694openalex-snapshot

Exploring Soot Inception With Stochastic Modelling, Machine Learning, and CFD

inferred← citeshttps://doi.org/10.32920/26052694.v1openalex-snapshot

Exploring Soot Inception With Stochastic Modelling, Machine Learning, and CFD

inferred← citeshttps://doi.org/10.3367/ufne.2023.12.039614openalex-snapshot

Evolution of carbon particles from the stage of asymptotic giant branch stars to planetary nebulae: observations, experiments, and theory

inferred← citeshttps://doi.org/10.3367/ufnr.2023.12.039614openalex-snapshot

Evolution of carbon particles from the stage of asymptotic giant branch stars to planetary nebulae: observations, experiments, and theory

inferred← citeshttps://doi.org/10.3389/fmech.2021.744001openalex-snapshot

HOMO–LUMO Gaps and Molecular Structures of Polycyclic Aromatic Hydrocarbons in Soot Formation

inferred← citeshttps://doi.org/10.3390/aerospace13080666openalex-snapshot

On Soot and Its Environmental Impact in Hybrid Rocket Engines

inferred← citeshttps://doi.org/10.3390/app12052569openalex-snapshot

Effect of Fuel Composition on Carbon Black Formation Pathways

inferred← citeshttps://doi.org/10.3390/ma14143882openalex-snapshot

A Monodisperse Population Balance Model for Nanoparticle Agglomeration in the Transition Regime

inferred← citeshttps://doi.org/10.3390/molecules28031489openalex-snapshot

Synthesis and Optical Properties of a Series of Push-Pull Dyes Based on Pyrene as the Electron Donor

inferred← citeshttps://doi.org/10.4271/2021-24-0086openalex-snapshot

Polycyclic Aromatic Hydrocarbons Evolution and Interactions with Soot Particles During Fuel Surrogate Combustion: A Rate Rule-Based Kinetic Model

inferred← citeshttps://doi.org/10.5194/ar-4-279-2026openalex-snapshot

Soot growth by monodisperse particle dynamics coupled with computational fluid dynamics

inferred← citeshttps://doi.org/10.70675/08dc1122zc2b7z4d6dzb089z34b6f6a58b7copenalex-snapshot

Large eddy simulation of liquid-fuel film : sooting-flame interaction in wall bounded turbulent flows

inferred← citeshttps://doi.org/10.70675/6a6dcb33z44f6z4c0fzab9dz6e878d40de96openalex-snapshot

Spectroscopic properties of environmental relevant systems : 2’,3-dihydroxyflavone-ion complexes and polycyclic aromatic hydrocarbons : a joint experimental and theoretical study

inferred← citeshttps://doi.org/10.70675/918dca9az3de1z401eza275z44b0cffcfba1openalex-snapshot

Development of a multi-scale approach using chemical kinetics and reactive force field molecular dynamics to model soot formation and oxidation

inferred← citeshttps://doi.org/10.70675/ac46e40fz48edz4dc9z976dzbbe58b19d2c4openalex-snapshot

A hybrid stochastic-sectional method for the simulation of soot particle size distributions

inferred← citeshttps://doi.org/10.70675/ad360ebezd3acz4499zb269z04e379907b70openalex-snapshot

Impact de l’hydrogène sur la formation des particules de suies et leurs précurseurs gazeux dans les flammes

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