Papers of interest in Soot formation chemistry and kinetics
Thermodynamic driving forces for post-gasification carbon deposition
Philip A. Marrone, Christopher J. Pope, Bryan V. Yehp , p p, y
2009 International Conference on Thermochemical Biomass Conversion Science , 16-17 September 2009
TCBiomass2009_Poster_PMarrone.pdf
Reaction mechanism of soot formation in flames
Michael Frenklach
Department of Mechanical Engineering, University of California at Berkeley, Berkeley,
CA 94720–1740, USA. E-mail: myf@me.berkeley.edu
FrenklachSootFormation.pdf
A Simplified Reaction Mechanism for Soot Formation in Nonpremixed Flames
K. M. LEUNG, and R. P. LINDSTEDT
Fluids Section, Department of Mechanical Engineering,
Imperial College, London SW7 2BX
W. P. JONES
Department of Chemical Engineering and Chemical
Technology, Imperial College, London SW7 2B Y
LeungLindstedtJones_CF_1991_Soot-1.pdf
The Influence of Charge Dilution and Injection Timing on Low-Temperature Diesel Combustion and Emissions
Sanghoon Kook and Choongsik Bae
Korea Advanced Institute of Science and Technology
Paul C. Miles, Dae Choi and Lyle M. Pickett
Sandia National Laboratories
Kook_etal_SAE_2005-01-3837-1.pdf
DYNAMICS OF SOOT FORMATION BY TURBULENT COMBUSTION AND THERMAL DECOMPOSITION OF NATURAL GAS
T. M. Gruenberger a; M. Moghiman a; P. J. Bowen a; N. Syred a
a University of Wales, Cardiff, Division of Mechanical Engineering, Queen's Buildings, Cardiff, UK.
(no public copy yet)
Violi, A., Voth, G. A., & Sarofim, A. F. (2005). The relative roles of acetylene and aromatic precursors during soot particle inception. Proceedings of the Combustion Institute, 30, 1343-1351. Retrieved from http://www-personal.umich.edu/~avioli/pdf/n.23.pdf.
This paper indicates that there is competition between the soot growth pathway reactions and the actual rearrangement reactions of the soot particle itself. The rearrangement reaction of the soot particle has a higher activation energy, which means that this can only occur at higher temperatures. The lower temperatures at the edge of the oxidation zone are environments where the soot molecules can grow but the rearrangement and degradation reactions are not as apparent in their occurance. As the temperature increases the soot growth reaction pathways become faster but the rates of rearrangement (cracking and reforming) become more rapid also.
Cyclodehydrogenation reactions are a major reaction in sites attributed to the growth reactions of soot. In this case either the elimination of H or H2 from a 5- or 6-membered ring will leave an active free radicle site and form a new ring. With the elimination of H, the a C=C bond will occur closing the ring, this is called a cage-closure reaction. With the removal of H2 from the ring, the formation of a new ring occurs. These cage-closure reactions, the breaking of C-H bonds, and rearrangement inside the larger molecule tend to have large activation energies. These typically occur at higher temperatures when there is enough energy in the system to facilitate these types of rearrangements. This paper investigated two temperature ranges, one at 530C and 1850C.
Venkataraman, C., Thomas, S., & Kulkarni, P. (1999). Size distributions of polycyclic aromatic hydrocarbons-gas/particle partitioning to urban aerosols. Journal of Aerosol Science, 30(6), 759-770. Retrieved from http://www.cese.iitb.ac.in/arl/pubs/cv_st_pk.pdf.
Image showing PAH transformation pathways to soot.
Image taken from:
Pugmire, R. J., Yan, S., Ma, Z., Solum, M. S., Jiang, Y. J., Eddings, E. G., et al. (n.d.). Soot Formation Process. Department of Chemical & Fuels Engineering, Department of Chemistry, University of Utah. Retrieved from http://www-acerc.byu.edu/News/Conference/2003/Presentations/Pugmire.pdf.
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