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Simulation of Soot Size Distribution in a Counterflow Flame

  • Z. He EMAIL logo , K. Zhou , M. Xiao and F. Wei
Published/Copyright: December 5, 2014

Abstract

Soot formed during the rich combustion of fossil fuels is an undesirable pollutant and health hazard. A newly developed Monte Carlo method is used to simulate the soot formation in a counterflow diffusion flame of ethylene. The simulation uses a new reaction mechanism available in literature, which focuses on modeling the formation of large polycyclic aromatic hydrocarbons (PAHs) up to coronene (C24H12). Nascent soot particles are assumed to form from the collision of eight different PAH molecules. Soot surface growth includes the hydrogen-abstraction-C2H2-addition mechanism and the condensation of the PAHs. Soot coagulation is in the free-molecular regime because particles are small (not more than a hundred nanometer). The coupling between vapor consumption and soot formation is handled by an interpolative moment method. Soot particle diffusion is found negligible throughout the counterflow flame, except for a very narrow region right around the stagnation plane. The soot particle size distribution (PSD) generally exhibits a bimodal shape. The first peak corresponds to a large number of nascent particles, while the second peak results from the competition between nucleation and coagulation. Surface growth affects the PSD quantitatively, but does not change the modality. A comparison with experimental data is also provided.

Funding statement: Research Funding: This work was supported by the National Natural Science Foundation of China (Grant/Award Number: 11402179, 51404176) and the National Key Technology R&D Program of China (2011BAK06B02).

References

1. MansurovZA. Soot formation in combustion processes (review). Combust Expl Shock Waves2005;41:72744.10.1007/s10573-005-0083-2Search in Google Scholar

2. DonaldsonK, TranL, JimenezLA, DuffinR, NewbyDE, MillsN, et al. Combustion-derived nanoparticles: a review of their toxicology following inhalation exposure. Part Fibre Toxicol2005;2:114.10.1186/1743-8977-2-10Search in Google Scholar

3. SinghJ, PattersonRI, KraftM, WangH. Numerical simulation and sensitivity analysis of detailed soot particle size distribution in laminar premixed ethylene flames. Combust Flame2006;145:11727.10.1016/j.combustflame.2005.11.003Search in Google Scholar

4. LightyJS, VeranthJM, SarofimAF. Combustion aerosols: factors governing their size and composition and implications to human health. J Air Waste Manage Assoc2000;50:1565618.10.1080/10473289.2000.10464197Search in Google Scholar

5. FrenklachM. Method of moments with interpolative closure. Chem Eng Sci2002;57:222939.10.1016/S0009-2509(02)00113-6Search in Google Scholar

6. MuellerME, BlanquartG, PitschH. Hybrid method of moments for modeling soot formation and growth. Combust Flame2009;156:114355.10.1016/j.combustflame.2009.01.025Search in Google Scholar

7. BalthasarM, FrenklachM. Monte-Carlo simulation of soot particle coagulation and aggregation: the effect of a realistic size distribution. Proc Combust Inst2005;30:146775.10.1016/j.proci.2004.07.035Search in Google Scholar

8. MorganN, KraftM, BalthasarM, WongD, FrenklachM, MitchellP. Numerical simulations of soot aggregation in premixed laminar flames. Proc Combust Inst2007;31:693700.10.1016/j.proci.2006.08.021Search in Google Scholar

9. PattersonRI, SinghJ, BalthasarM, KraftM, Norris, JR. The linear process deferment algorithm: a new technique for solving population balance equations. SIAM J Sci Comput2006;28:30320.10.1137/040618953Search in Google Scholar

10. PattersonRI, SinghJ, BalthasarM, KraftM, WagnerW. Extending stochastic soot simulation to higher pressures. Combust Flame2006;145:63842.10.1016/j.combustflame.2006.02.005Search in Google Scholar

11. RajA, PradaID, AmerAA, ChungSH. A reaction mechanism for gasoline surrogate fuels for large polycyclic aromatic hydrocarbons. Combust Flame2012;159:50015.10.1016/j.combustflame.2011.08.011Search in Google Scholar

12. BlanquartG, PitschH. Analyzing the effects of temperature on soot formation with a joint volume-surface-hydrogen model. Combust Flame2009;156:161426.10.1016/j.combustflame.2009.04.010Search in Google Scholar

13. AbidAD, HeinzN, TolmachoffED, PharesDJ, CampbellCS, WangH. On evolution of particle size distribution functions of incipient soot in premixed ethylene–oxygen–argon flames. Combust Flame2008;154:77588.10.1016/j.combustflame.2008.06.009Search in Google Scholar

14. AppelJ, BockhornH, FrenklachM. Kinetic modeling of soot formation with detailed chemistry and physics: laminar premixed flames of C2 hydrocarbons. Combust Flame2000;121:12236.10.1016/S0010-2180(99)00135-2Search in Google Scholar

15. HarrisSJ, KennedyIM. The coagulation of soot particles with Van-der-Waals forces. Combust Sci Tech1988;59:44354.10.1080/00102208808947110Search in Google Scholar

16. FrenklachM, WangH. Detailed modeling of soot particle nucleation and growth. Proc Combust Inst1990;23:155966.10.1016/S0082-0784(06)80426-1Search in Google Scholar

17. FriedlanderSK. Smoke, dust, and haze: fundamentals of aerosol dynamics. New York: Oxford University Press, 2000.Search in Google Scholar

18. ShahBH, RamkrishnaD, BorwankerJD. Simulation of particulate systems using the concept of the interval of quiescence. AIChE J1977;23:897904.10.1002/aic.690230617Search in Google Scholar

19. TandonP, RosnerDE. Monte Carlo simulation of particle aggregation and simultaneous restructuring. J Colloid Interface Sci1999;213:27386.10.1006/jcis.1998.6036Search in Google Scholar

20. RajamaniK, PateWT, KinnebergDJ. Time-driven and event-driven Monte Carlo simulations of liquid-liquid dispersions: a comparison. Ind Eng Chem Fundam1986;25:74652.10.1021/i100024a045Search in Google Scholar

21. GillespieDT. An exact method for numerically simulating the stochastic coalescence process in a cloud. J Atmos Sci1975;32:19771989.10.1175/1520-0469(1975)032<1977:AEMFNS>2.0.CO;2Search in Google Scholar

22. ZhouK, HeZ, XiaoM, ZhangZ. Parallel Monte Carlo simulation of aerosol dynamics. Adv Mech Eng2014;2014:435936.10.1155/2014/435936Search in Google Scholar

23. BuckmasterJD, LudfordGSS. Theory of laminar flames. New York: Cambridge University Press, 1982.Search in Google Scholar

24. GrcarJF. The Twopnt program for boundary value problems. Albuquerque, NM: Sandia National Laboratories, 1992.Search in Google Scholar

25. FrenklachM, HarrisSJ. Aerosol dynamics modeling using the method of moments. J Colloid Interface Sci1987;118:25261.10.1016/0021-9797(87)90454-1Search in Google Scholar

26. DaviesSC, KingJR, WattisJA. The Smoluchowski coagulation equations with continuous injection. J Phys a Math Gen1999;32:774563.10.1088/0305-4470/32/44/311Search in Google Scholar

27. ChoiBC, ChoiSK, ChungSH, KimJS, ChoiJH. Experimental and numerical investigation of fuel mixing effects on soot structures in counterflow diffusion flames. Int J Automot Technol2011;12:18391.10.1007/s12239-011-0022-zSearch in Google Scholar

Published Online: 2014-12-5
Published in Print: 2015-3-1

©2015 by De Gruyter

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