Modeling soot formation from solid complex fuels

Josephson, Alexander J.; Linn, Rod R.; Lignell, David O.

doi:10.1016/j.combustflame.2018.06.020

Title: Modeling soot formation from solid complex fuels

Journal Article · 07 July 2018 · Combustion and Flame

DOI: https://doi.org/10.1016/j.combustflame.2018.06.020 · OSTI ID:1463558

^[1]; Linn, Rod R. ^[2];

^[3]

Brigham Young Univ., Provo, UT (United States). Dept. of Chemical Engineering; Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Brigham Young Univ., Provo, UT (United States). Dept. of Chemical Engineering

A detailed model is proposed for predicting soot formation from complex solid fuels. The proposed model resolves two particle size distributions, one for soot precursors and another for soot particles. The precursor size distribution is represented with a sectional approach while the soot particle-size distribution is represented with the method of moments and an interpolative closure method is used to resolve fractional methods. Based on established mechanisms, this model includes submodels for precursor coagulation, growth, and consumption, as well as soot nucleation, surface growth, agglomeration, and consumption. The model is validated with comparisons to experimental data for two systems: coal combustion over a laminar flat-flame burner and biomass gasification. Here, results are presented for soot yield for three coals at three temperatures each, and for soot yield from three types of biomass at two temperatures each. Finally, these results represent a wide range of fuels and varying combustion environments, demonstrating the broad applicability of the model.

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Research Organization:: Los Alamos National Laboratory (LANL)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1463558

Alternate ID(s):: OSTI ID: 1601019; OSTI ID: 1577858; OSTI ID: 1582658

Report Number(s):: LA-UR-18-21447

Journal Information:: Combustion and Flame, Journal Name: Combustion and Flame Journal Issue: C Vol. 196; ISSN 0010-2180

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (48)

Method of moments with interpolative closure Frenklach, Michael Chemical Engineering Science, Vol. 57, Issue 12 https://doi.org/10.1016/S0009-2509(02)00113-6	journal	June 2002
Modeling Formation and Oxidation of Soot in Nonpremixed Flames Sirignano, Mariano; Kent, John; D’Anna, Andrea Energy & Fuels, Vol. 27, Issue 4 https://doi.org/10.1021/ef400057r	journal	March 2013
Formation of nascent soot and other condensed-phase materials in flames Wang, Hai Proceedings of the Combustion Institute, Vol. 33, Issue 1 https://doi.org/10.1016/j.proci.2010.09.009	journal	January 2011
Hybrid Method of Moments for modeling soot formation and growth Mueller, M. E.; Blanquart, G.; Pitsch, H. Combustion and Flame, Vol. 156, Issue 6 https://doi.org/10.1016/j.combustflame.2009.01.025	journal	June 2009
Models of soot formation and oxidation Kennedy, Ian M. Progress in Energy and Combustion Science, Vol. 23, Issue 2 https://doi.org/10.1016/S0360-1285(97)00007-5	journal	January 1997
Does distance among biomass particles affect soot formation in an entrained flow gasification process? Göktepe, Burak; Umeki, Kentaro; Gebart, Rikard Fuel Processing Technology, Vol. 141 https://doi.org/10.1016/j.fuproc.2015.06.038	journal	January 2016
Revision to Modeling Soot Derived from Pulverized Coal Josephson, Alexander J.; Lignell, David O.; Brown, Alexander L. Energy & Fuels, Vol. 30, Issue 6 https://doi.org/10.1021/acs.energyfuels.6b01007	journal	May 2016
Detailed Kinetic Analysis of Soot Oxidation by NO ₂ , NO, and NO + O ₂ Leistner, Kirsten; Nicolle, André; Da Costa, Patrick The Journal of Physical Chemistry C, Vol. 116, Issue 7 https://doi.org/10.1021/jp210312r	journal	February 2012
Coal flash pyrolysis: secondary cracking of tar vapours in the range 870–2000 K☆ Doolan, K.; Mackie, J.; Tyler, R. Fuel, Vol. 66, Issue 4 https://doi.org/10.1016/0016-2361(87)90166-9	journal	April 1987
Transient model for soot formation during the combustion of single coal particles Xu, Kailong; Zhang, Hai; Wu, Yuxin Proceedings of the Combustion Institute, Vol. 36, Issue 2 https://doi.org/10.1016/j.proci.2016.06.146	journal	January 2017
Experimental study and global model of PAH formation from coal combustion You, X. F.; Gorokhovski, M. A.; Chinnayya, A. Journal of the Energy Institute, Vol. 80, Issue 1 https://doi.org/10.1179/174602207X171561	journal	March 2007
On the rank-dependence of coal tar secondary reactions Zeng, Dong; Hu, Shengteng; Sayre, Alan N. Proceedings of the Combustion Institute, Vol. 33, Issue 2 https://doi.org/10.1016/j.proci.2010.06.028	journal	January 2011
Soot inception temperature and the carbonization rate of precursor particles Dobbins, Richard A. Combustion and Flame, Vol. 130, Issue 3 https://doi.org/10.1016/S0010-2180(02)00374-7	journal	August 2002
Soot formation and oxidation during bio-oil gasification: experiments and modeling Chhiti, Younes; Peyrot, Marine; Salvador, Sylvain Journal of Energy Chemistry, Vol. 22, Issue 5 https://doi.org/10.1016/S2095-4956(13)60093-5	journal	September 2013
Detailed kinetic modeling of soot aggregate formation in laminar premixed flames Balthasar, Michael; Frenklach, Michael Combustion and Flame, Vol. 140, Issue 1-2 https://doi.org/10.1016/j.combustflame.2004.11.004	journal	January 2005
Modeling of tar thermal cracking in a plasma reactor Marias, F.; Demarthon, R.; Bloas, A. Fuel Processing Technology, Vol. 149 https://doi.org/10.1016/j.fuproc.2016.04.001	journal	August 2016
Unimolecular reaction mechanisms involving C3H4, C4H4, and C6H6 hydrocarbon species Melius, Carl F.; Miller, James A.; Evleth, Earl M. Symposium (International) on Combustion, Vol. 24, Issue 1 https://doi.org/10.1016/S0082-0784(06)80076-7	journal	January 1992
Effects of several types of biomass fuels on the yield, nanostructure and reactivity of soot from fast pyrolysis at high temperatures Trubetskaya, Anna; Jensen, Peter Arendt; Jensen, Anker Degn Applied Energy, Vol. 171 https://doi.org/10.1016/j.apenergy.2016.02.127	journal	June 2016
Modeling Soot Oxidation and Gasification with Bayesian Statistics Josephson, Alexander J.; Gaffin, Neal D.; Smith, Sean T. Energy & Fuels, Vol. 31, Issue 10 https://doi.org/10.1021/acs.energyfuels.7b00899	journal	September 2017
Characteristics and kinetics of biomass tar cracking in a micro fluidized bed Mao, Yebing; Dong, Yuping; Wang, Bin RSC Advances, Vol. 5, Issue 101 https://doi.org/10.1039/C5RA13323H	journal	January 2015
The roles of pah and acetylene in soot nucleation and growth Thomas Mckinnon, J.; Howard, Jack B. Symposium (International) on Combustion, Vol. 24, Issue 1 https://doi.org/10.1016/S0082-0784(06)80114-1	journal	January 1992
High temperature hydrogen sulfide adsorption on activated carbon Cal, M. P.; Strickler, B. W.; Lizzio, A. A. Carbon, Vol. 38, Issue 13 https://doi.org/10.1016/S0008-6223(00)00011-7	journal	January 2000
Combustion of pulverised coal and biomass Williams, A.; Pourkashanian, M.; Jones, J. M. Progress in Energy and Combustion Science, Vol. 27, Issue 6 https://doi.org/10.1016/S0360-1285(01)00004-1	journal	January 2001
An experimental study of the soot formed in the pyrolysis of acetylene Mendiara, T.; Domene, M. P.; Millera, A. Journal of Analytical and Applied Pyrolysis, Vol. 74, Issue 1-2 https://doi.org/10.1016/j.jaap.2004.11.019	journal	August 2005
Thermal fragmentation and deactivation of combustion-generated soot particles Raj, Abhijeet; Tayouo, Russell; Cha, Dongkyu Combustion and Flame, Vol. 161, Issue 9 https://doi.org/10.1016/j.combustflame.2014.02.010	journal	September 2014
An assessment of gas-phase reaction mechanisms and soot models for laminar atmospheric-pressure ethylene–air flames Mehta, R. S.; Haworth, D. C.; Modest, M. F. Proceedings of the Combustion Institute, Vol. 32, Issue 1 https://doi.org/10.1016/j.proci.2008.06.149	journal	January 2009
Detailed Mechanism and Modeling of Soot Particle Formation Frenklach, Michael; Wang, Hai Springer Series in Chemical Physics, Vol. 59 https://doi.org/10.1007/978-3-642-85167-4_10	book	January 1994
Optimized rate expressions for soot oxidation by OH and O2 Guo, Haiqing; Anderson, Paul M.; Sunderland, Peter B. Fuel, Vol. 172 https://doi.org/10.1016/j.fuel.2016.01.030	journal	May 2016
Development and application of a comprehensive soot model for 3D CFD reacting flow studies in a diesel engine Hong, S.; Wooldridge, M.; Im, H. Combustion and Flame, Vol. 143, Issue 1-2 https://doi.org/10.1016/j.combustflame.2005.04.007	journal	October 2005
The Coagulation of Soot Particles with van der Waals Forces Harris, Stephen J.; Kennedy, Ian M. Combustion Science and Technology, Vol. 59, Issue 4-6 https://doi.org/10.1080/00102208808947110	journal	June 1988
Evolution of Aromatic Tar Composition in Relation to Methane and Ethylene from Biomass Pyrolysis-Gasification Dufour, A.; Masson, E.; Girods, P. Energy & Fuels, Vol. 25, Issue 9 https://doi.org/10.1021/ef200846g	journal	September 2011
Soot nucleation and growth in acetylene air laminar coflowing jet diffusion flames Lin, K. -C.; Sunderland, P. B.; Faeth, G. M. Combustion and Flame, Vol. 104, Issue 3 https://doi.org/10.1016/0010-2180(95)00225-1	journal	February 1996
Tar Formation and Destruction in a Fixed Bed Reactor Simulating Downdraft Gasification: Effect of Reaction Conditions on Tar Cracking Products Dabai, Fadimatu; Paterson, Nigel; Millan, Marcos Energy & Fuels, Vol. 28, Issue 3 https://doi.org/10.1021/ef402293m	journal	February 2014
Modeling Soot Derived from Pulverized Coal Brown, Alexander L.; Fletcher, Thomas H. Energy & Fuels, Vol. 12, Issue 4 https://doi.org/10.1021/ef9702207	journal	July 1998
Design and characterization of a linear Hencken-type burner Campbell, M. F.; Bohlin, G. A.; Schrader, P. E. Review of Scientific Instruments, Vol. 87, Issue 11 https://doi.org/10.1063/1.4967491	journal	November 2016
Kinetic modeling of soot formation with detailed chemistry and physics: laminar premixed flames of C2 hydrocarbons Appel, Jörg; Bockhorn, Henning; Frenklach, Michael Combustion and Flame, Vol. 121, Issue 1-2 https://doi.org/10.1016/S0010-2180(99)00135-2	journal	April 2000
Kinetics of vapor-phase secondary reactions of prompt coal pyrolysis tars Serio, Michael A.; Peters, William A.; Howard, Jack B. Industrial & Engineering Chemistry Research, Vol. 26, Issue 9 https://doi.org/10.1021/ie00069a019	journal	September 1987
Detailed modeling of soot particle nucleation and growth Frenklach, Michael; Wang, Hai Symposium (International) on Combustion, Vol. 23, Issue 1 https://doi.org/10.1016/S0082-0784(06)80426-1	journal	January 1991
Reaction pathway for nascent soot in ethylene pyrolysis Matsukawa, Yoshiya; Ono, Kiminori; Dewa, Kazuki Combustion and Flame, Vol. 167 https://doi.org/10.1016/j.combustflame.2016.02.008	journal	May 2016
Modeling soot formation in premixed flames using an Extended Conditional Quadrature Method of Moments Salenbauch, Steffen; Cuoci, Alberto; Frassoldati, Alessio Combustion and Flame, Vol. 162, Issue 6 https://doi.org/10.1016/j.combustflame.2015.03.002	journal	June 2015
Chemical percolation model for devolatilization. 3. Direct use of carbon-13 NMR data to predict effects of coal type Fletcher, Thomas H.; Kerstein, Alan R.; Pugmire, Ronald J. Energy & Fuels, Vol. 6, Issue 4 https://doi.org/10.1021/ef00034a011	journal	July 1992
A simplified reaction mechanism for soot formation in nonpremixed flames Leung, K. M.; Lindstedt, R. P.; Jones, W. P. Combustion and Flame, Vol. 87, Issue 3-4 https://doi.org/10.1016/0010-2180(91)90114-Q	journal	December 1991
PAH Growth Initiated by Propargyl Addition: Mechanism Development and Computational Kinetics Raj, Abhijeet; Al Rashidi, Mariam J.; Chung, Suk Ho The Journal of Physical Chemistry A, Vol. 118, Issue 16 https://doi.org/10.1021/jp410704b	journal	April 2014
Detailed numerical modeling of PAH formation and growth in non-premixed ethylene and ethane flames Slavinskaya, Nadezhda A.; Riedel, Uwe; Dworkin, Seth B. Combustion and Flame, Vol. 159, Issue 3 https://doi.org/10.1016/j.combustflame.2011.10.005	journal	March 2012
Modeling of Oxidation-Driven Soot Aggregate Fragmentation in a Laminar Coflow Diffusion Flame Zhang, Q.; Thomson, M. J.; Guo, H. Combustion Science and Technology, Vol. 182, Issue 4-6 https://doi.org/10.1080/00102200903463050	journal	June 2010
The kinetics of polynuclear aromatic hydrocarbon agglomeration in flames Miller, J. Houston Symposium (International) on Combustion, Vol. 23, Issue 1 https://doi.org/10.1016/S0082-0784(06)80246-8	journal	January 1991
Prediction of Sawdust Pyrolysis Yields from a Flat-Flame Burner Using the CPD Model Lewis, Aaron D.; Fletcher, Thomas H. Energy & Fuels, Vol. 27, Issue 2 https://doi.org/10.1021/ef3018783	journal	January 2013
Soot in coal combustion systems Fletcher, T. Progress in Energy and Combustion Science, Vol. 23, Issue 3 https://doi.org/10.1016/S0360-1285(97)00009-9	journal	January 1997

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