Articles | Volume 3, issue 1
https://doi.org/10.5194/ar-3-185-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/ar-3-185-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
15 Apr 2025
Research article |
| 15 Apr 2025
| 15 Apr 2025
Investigation of soot precursor molecules during inception by acetylene pyrolysis using reactive molecular dynamics
Anindya Ganguly
Department of Chemical Engineering, The University of Melbourne, Parkville, Victoria, Australia
Khaled Mosharraf Mukut
Department of Mechanical Engineering, Marquette University, Milwaukee, WI, USA
Somesh Roy
Department of Mechanical Engineering, Marquette University, Milwaukee, WI, USA
Georgios Kelesidis
Faculty of Aerospace Engineering, Delft University of Technology, Delft, the Netherlands
Eirini Goudeli
CORRESPONDING AUTHOR
Department of Chemical Engineering, The University of Melbourne, Parkville, Victoria, Australia
Related authors
No articles found.
Arash Fakharnezhad, Joseph D. Berry, and Eirini Goudeli
Aerosol Research Discuss., https://doi.org/10.5194/ar-2025-40, https://doi.org/10.5194/ar-2025-40, 2025
Preprint under review for AR
Short summary
Short summary
A computationally efficient monodisperse particle dynamics-computational fluid dynamics simulation is developed to predict soot particle growth in flames without use of reaction kinetic models. The proposed model is in good agreement with soot volume fraction and mobility size measurements, demonstrating a level of accuracy comparable to that of sectional models. This model can be readily used for design applications of engines and industrial burners.
Jonas Elm, Aladár Czitrovszky, Andreas Held, Annele Virtanen, Astrid Kiendler-Scharr, Benjamin J. Murray, Daniel McCluskey, Daniele Contini, David Broday, Eirini Goudeli, Hilkka Timonen, Joan Rosell-Llompart, Jose L. Castillo, Evangelia Diapouli, Mar Viana, Maria E. Messing, Markku Kulmala, Naděžda Zíková, and Sebastian H. Schmitt
Aerosol Research, 1, 13–16, https://doi.org/10.5194/ar-1-13-2023, https://doi.org/10.5194/ar-1-13-2023, 2023
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Short summary
The study explores the formation of small soot clusters by precursor molecules at high temperature. Higher temperature speeds up the decomposition of gas molecules, accelerating the formation of cyclic structures decorated by aliphatic chains. This research offers new insights into the early steps of soot formation, which could help develop more informed kinetic models for pyrolysis and combustion processes.
The study explores the formation of small soot clusters by precursor molecules at high...
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