Molecular characterization of large polycyclic aromatic hydrocarbons (LPAHs) in soot particles of a co-flow diffusion flame

Can Shao, Wen Zhang, Anthony Bennett, William L. Roberts, Mani Sarathy

Research output: Chapter in Book/Report/Conference proceedingConference contribution


Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometry coupled with laser desorption ionization (LDI) was used to probe chemical constituents of soot particles sampled from a co-flow diffusion flame fueled with a binary mixture of toluene and ethylene. The chemical formulas of thousands of mass spectrometric peaks were assigned according to the measured accurate molecular weights. Large polycyclic aromatic hydrocarbons (LPAHs) were found to be the major components in the complex mixtures. Compound class distribution analysis showed that the LPAH oxygen content grows with increasing height above the burner. iso-Abundance plots were employed to visualize the distributions of various molecules by sorting the molecular constituents into different types based on the carbon and double bond equivalence (DBE) numbers. Soot particles at Position 1 are nano-organic carbon particles, which are liquid-like and formed in the core of the flame at early stages of combustion. The mass spectra of soot particle in position 1 was selected for structural analysis of the constituent PAHs. Results show that PAHs in these soot particles successively grows by two carbon atoms.
Original languageEnglish (US)
Title of host publication12th Asia-Pacific Conference on Combustion, ASPACC 2019
PublisherCombustion Institute
StatePublished - Jan 1 2019

Bibliographical note

KAUST Repository Item: Exported on 2022-01-27
Acknowledged KAUST grant number(s): OSR-1026-CRG5-C3033
Acknowledgements: The work at KAUST was supported by the Office of Sponsored Research (OSR) under Award No. OSR-1026-CRG5-C3033, and Saudi Aramco under the FUELCOM program. This research used resources of the Core Labs of King Abdullah University of Science and Technology (KAUST).


Dive into the research topics of 'Molecular characterization of large polycyclic aromatic hydrocarbons (LPAHs) in soot particles of a co-flow diffusion flame'. Together they form a unique fingerprint.

Cite this