REVIEW ARTICLE

Combustion mechanism development and CFD simulation for the prediction of soot emission during flaring

  • Anan Wang 1 ,
  • Helen H. Lou , 1 ,
  • Daniel Chen 1 ,
  • Anfeng Yu 2 ,
  • Wenyi Dang , 2 ,
  • Xianchang Li 3 ,
  • Christopher Martin 4 ,
  • Vijaya Damodara 1 ,
  • Ajit Patki 3
Expand
  • 1. Dan F. Smith Department of Chemical Engineering, Lamar University, Beaumont, TX 77710, USA
  • 2. SINOPEC Safety Engineering Institute, Qingdao 266000, China
  • 3. Department of Mechanical Engineering, Lamar University, Beaumont, TX 77710, USA
  • 4. Department of Chemistry, Lamar University, Beaumont, TX 77710, USA

Received date: 25 Apr 2016

Accepted date: 10 Aug 2016

Published date: 29 Nov 2016

Copyright

2016 Higher Education Press and Springer-Verlag Berlin Heidelberg

Abstract

Industrial Flares are important safety devices to burn off the unwanted gas during process startup, shutdown, or upset. However, flaring, especially the associated smoke, is a symbol of emissions from refineries, oil gas fields, and chemical processing plants. How to simultaneously achieve high combustion efficiency (CE) and low soot emission is an important issue. Soot emissions are influenced by many factors. Flare operators tend to over-steam or over-air to suppress smoke, which results in low CE. How to achieve optimal flare performance remains a question to the industry and the regulatory agencies. In this paper, regulations in the US regarding flaring were reviewed. In order to determine the optimal operating window for the flare, different combustion mechanisms related to soot emissions were summarized. A new combustion mechanism (Vsoot) for predicting soot emissions was developed and validated against experimental data. Computational fluid dynamic (CFD) models combined with Vsoot combustion mechanism were developed to simulate the flaring events. It was observed that simulation results agree well with experimental data.

Cite this article

Anan Wang , Helen H. Lou , Daniel Chen , Anfeng Yu , Wenyi Dang , Xianchang Li , Christopher Martin , Vijaya Damodara , Ajit Patki . Combustion mechanism development and CFD simulation for the prediction of soot emission during flaring[J]. Frontiers of Chemical Science and Engineering, 2016 , 10(4) : 459 -471 . DOI: 10.1007/s11705-016-1594-y

1
Bond T C, Doherty S J, Fahey D W, Forster P M, Berntsen T, DeAngelo B J, Flanner M G, Ghan S, Kärcher B, Koch D, Kinne S, Kondo Y, Quinn P K, Sarofim M C, Schultz M G, Schulz M, Venkataraman C, Zhang H, Zhang S, Bellouin N, Guttikunda S K, Hopke P K, Jacobson M Z, Kaiser J W, Klimont Z, Lohmann U, Schwarz J P, Shindell D, Storelvmo T, Warren S G, Zender C S. Bounding the role of black carbon in the climate system: A scientific assessment. Journal of Geophysical Research, D, Atmospheres, 2013, 118(11): 5380–5552

DOI

2
Elvidge C D, Ziskin D, Baugh K E, Tuttle B T, Ghosh T, Pack D W, Erwin E H, Zhizhin M. A fifteen year record of global natural gas flaring derived from satellite data. Energies, 2009, 2(3): 595–622

DOI

3
U.S. EPA. 2009 Final Report: Integrated Science Assessment for Particulate Matter. 2009

4
United States Government Code of Federal Regulations‒Standards of Performance for New Stationary Sources, General Control Device and Work Practice Requirements, 40CFR § 60.18. Available at: http://edocket.access.gpo.gov/cfr_2009/julqtr/pdf/40cfr60.18.pdf (<Date>accessed in April, 2016</Date>)

5
U.S. EPA. 40 CFR Ch. I (7–1–09 Edition), Pt. 60, App. A–4, Meth. 9.: Method 9-Visual determination of the opacity of emissions from stationary sources. Available at: https://www.gpo.gov/fdsys/pkg/CFR-2010-title40-vol7/pdf/CFR-2010-title40-vol7-part60-appA-id11.pdf (<Date>accessed in April, 2016</Date>)

6
U.S. EPA Office of Air Quality Planning and Standards (OAQPS). Parameters for properly designed and operated flares, report for flare review panel, 2012. Available at: https://www3.epa.gov/airtoxics/flare/2012flaretechreport.pdf (<Date>accessed in April, 2016</Date>)

7
Fry C R, Coburn J, International R T I. Peer review of “Parameters for properly designed and operated flares”, 2012. Available at: https://www3.epa.gov/airtoxics/flare/2012flarepeerreviewmemo.pdf (<Date>accessed in April, 2016</Date>)

8
Allen D T, Torres V M. 2010 TCEQ Flare Study Final Report. The University of Texas at Austin, The Center for Energy and Environmental Resources, TCEQ PGA No. 582-8-86245-FY09-04 and Task order No. UTA10-000924-LOAT-RP9, 2011

9
Barlow R S, Frank J H. Summary Twelfth International Workshop Measurement and Computation of Turbulent Flames (TNF12).<Date>July 31–August 2</Date>, 2014, Pleasanton, California, USA

10
Action R. Particular Matler (PM) Pollution. Available at: http://www.epa.gov/airquality/particlepollution/actions.html (<Date>accessed in April, 2016</Date>)

11
Stohl A, Klimont Z, Eckhardt S, Kupiainen K, Shevchenko V P, Kopeikin V M, Novigatsky A N. Black carbon in the Arctic: The underestimated role of gas flaring and residential combustion emissions. Atmospheric Chemistry and Physics, 2013, 13(17): 8833–8855

DOI

12
Seinfeld J H, Pandis S N. Atmospheric Chemistry and Physics: From Air Pollution to Climate Change. Environment. Science and Policy for Sustainable Development, 1988, 40(7): 26

DOI

13
Qin Z, Yang H, Gardiner W C Jr. Measurement and modeling of shock-tube ignition delay for propene. Combustion and Flame, 2001, 124(1-2): 246–254

DOI

14
Wang H. A Comprehensive Kinetic Model of Ethylene and Acetylene Oxidation at High Temperatures. Dissertation for the Doctoral Degree. Delaware: University of Delaware, 1998

15
McDaniel M, Tichenor B A. Flare Efficiency Study. US Environmental Protection Agency, Industrial Environmental Research Laboratory, 1983

16
Seinfeld J H, Pandis S N. Atmospheric Chemistry and Physics: From Air Pollution to Climate Change. 2nd edition. New Jersey: John Wiley & Sons, 2006

17
Current P M. 2.5 levels — soot, dust, and smoke in your metro area. Available at: http://www.tceq.state.tx.us/cgi-bin/compliance/monops/texas_pm25.pl (<Date>accessed in April, 2016</Date>)

18
Fine Particulate Matter National Ambient Air Quality Standards. State Implementation Plan Requirements; Proposed Rule. Available at: https://www.gpo.gov/fdsys/pkg/FR-2015-03-23/pdf/2015-06138.pdf (<Date>accessed in April, 2016</Date>)

19
Kleiveland R N. Modelling of soot formation and oxidation in turbulent diffusion flames. Dissertation for the Doctoral Degree. Trondheim: Norwegian University of Science and Technology, 2005

20
2013 Emissions Inventory Guidelines. Available at: https://www.tceq.texas.gov/assets/public/comm_exec/pubs/rg/rg360/rg36013/TOC-covers.pdf (<Date>accessed in April, 2016</Date>)

21
Fact sheet proposed petroleum refinery risk and technology review and new source performance standards. Available at: https://www3.epa.gov/airtoxics/petrefine/20140515factsheet.pdf (<Date>accessed in April, 2016</Date>)

22
EPA’s strategy for reducing methane and ozone-forming pollution from the oil and natural gas industry. Available at: https://www3.epa.gov/airquality/oilandgas/pdfs/20150114fs.pdf (<Date>accessed in April, 2016</Date>)

23
EPA. 40 CFR Parts 60 and 63. Petroleum Refinery Sector Risk and Technology Review and New Source Performance Standards. Available at: https://www3.epa.gov/airtoxics/petrefine/20140515fr.pdf (<Date>accessed in April, 2016</Date>)

24
Guide, ANSYS FLUENT USER. Release 14.5, ANSYS. Inc., 2012

25
Singh J, Patterson R I A, Kraft M, Wang H. Numerical simulation and sensitivity analysis of detailed soot particle size distribution in laminar premixed ethylene flames. Combustion and Flame, 2006, 145(1-2): 117–127

DOI

26
Zhao B, Yang Z, Johnston M V, Wang H, Wexler A S, Balthasar M, Kraft M. Measurement and numerical simulation of soot particle size distribution functions in a laminar premixed ethylene-oxygen-argon flame. Combustion and Flame, 2003, 133(1-2): 173–188

DOI

27
Richter H, Howard J B. Formation of polycyclic aromatic hydrocarbons and their growth to soot—A review of chemical reaction pathways. Progress in Energy and Combustion Science, 2000, 26(4-6): 565–608

DOI

28
Frenklach M. Reaction mechanism of soot formation in flames. Physical Chemistry Chemical Physics, 2002, 4(11): 2028–2037

DOI

29
Lautenbergera C W, de Ris J L, Dembsey N A, Barnett J R, Baum H R. A simplified model for soot formation and oxidation in CFD simulation of non-premixed hydrocarbon flames. Fire Safety Journal, 2005, 40(2): 141–176

DOI

30
Colket M B, Hall R J, Sangiovanni J J, Seery D J. The Determination of Rate-Limiting Steps during Soot Formation. No. UTRC89-13 , United Technologies Research Center East Hartford CT, 1989, C-2–C-23

31
Frenklach M, Clary D W, Jr Gardiner W C, Stein S E. Detailed kinetic modeling of soot formation in shock-tube pyrolysis of acetylene. Symposium (International) on Combustion, 1985, 20(1): 887–901

32
Frenklach M, Clary D W, Jr Gardiner W C, Stein S E. Effect of fuel structure on pathways to soot. Symposium (International) on Combustion, 1988, 21(1): 1067–1076

33
Melius C F, Colvin M E, Marinov N M, Pit W J, Senkan S M. Reaction mechanisms in aromatic hydrocarbon formation involving the C5H5 cyclopentadienyl moiety. Symposium (International) on Combustion, 1996, 26(1): 685–692

34
Frenklach M. Reaction mechanism of soot formation in flames. Physical Chemistry Chemical Physics, 2002, 4(11): 2028–2037

DOI

35
Winans R E, Tomczyk N A, Hunt J E, Solum M S, Pugmire R J, Jiang Y J, Fletcher T H. Model compound study of the pathways for aromatic hydrocarbon formation in soot. Energy & Fuels, 2007, 21(5): 2584–2593

DOI

36
Fenklach M, Wang H. Aromatics growth beyond the first ring and the nucleation of soot particles. Divsion of Fuel Chemistry, 1991, 36: 1509

37
Miller J A, Kee R J, Westbrook C K. Chemical kinetics and combustion modeling. Annual Review of Physical Chemistry, 1990, 41(1): 345–387

DOI

38
Miller J A, Melius C F. Kinetic and thermodynamic issues in the formation of aromatic compounds in flames of aliphatic fuels. Combustion and Flame, 1992, 91(1): 21–39

DOI

39
Alexiou A, Williams A, Abdalla A Y. A shock-tube investigation of soot formation form toluene/methanol mixtures. In abstracts of papers of the American Chemical Society. Washington, DC: American Chemical Society, 1991, 202, 113

40
Lou H H, Martin C B, Chen D, Li X, Li K, Vaid H, Kumar A T, Singh K D, Bean D P Jr. A reduced reaction mechanism for the simulation in ethylene flare combustion. Clean Technologies and Environmental Policy, 2012, 14(2): 229–239

DOI

41
Wang H, You X Q, Joshi A V, Davis S G, Laskin A, Egolfopoulos F, Law C K. USC Mech Version II. High-temperature combustion reaction model of H2/CO/C1-C4 Compounds. http://ignis.usc.edu/USC_Mech_II.htm<Date>(accessed in May, 2007)</Date>

42
Davis S G, Law C K. Determination of and fuel structure effects on Laminar flame speeds of C1 to C8 hydrocarbons. Combustion Science and Technology, 1998, 140(1-6): 427–449

DOI

43
Vagelopoulos C M, Egolfopoulos F N, Law C K. Further considerations on the determination of Laminar flame speeds with the counterflow twin-flame technique. Symposium (International) on Combustion, 1994, 25(1): 1341–1347

44
Zhu D L, Jomaas G, Zheng X L, Law C K. Experimental determination of counterflow ignition temperatures and laminar flame speeds of C2-C3 hydrocarbons at atmospheric and elevated pressures. Proceedings of the Combustion Institute, 2005, 30(1): 193–200

DOI

45
Heghes C I. C1-C4 Hydrocarbon oxidation mechanism. Dissertation for the Doctotal Degree. Heidelberg: Ruprecht-Karls-Universität, 2006

46
Qin Z, Yang H, Gardiner W C Jr. Measurement and modeling of shock-tube ignition delay for propene. Combustion and Flame, 2001, 124(1-2): 246–254

DOI

47
Ungut A, James H. Autoignition of gaseous fuel-air mixtures near a hot surface. Institution of Chemical Engineers, 1999, 148: 487–502

48
Law C K, Makino A, Lu T F. On the off-stoichiometric peaking of adiabatic flame temperature. Combustion and Flame, 2006, 145(4): 808–819

DOI

49
Fluent A. 14.5 Theory Guide. Canonsburg, PA: ANSYS Inc. 2012

50
Fenimore C P, Jones G W. Oxidation of soot by hydroxyl radicals. Journal of Physical Chemistry, 1967, 71(3): 593–597

DOI

51
Brookes S J, Moss J B. Prediction of soot and thermal radiation in confined turbulent jet diffusion flames. Combustion and Flame, 1999, 116(4): 486–503

DOI

52
Tesner P A, Snegiriova T D, Knorre V G. Kinetics of dispersed carbon formation. Combustion and Flame, 1971, 17(2): 253–260

DOI

53
Hall R J, Smooke M D, Colket M B. Physical and chemical Aspects of Combustion. New York: Gordon and Breach, 1997

54
Lindstedt R P. IUTAM Conference on Aerothermo-Chemistry in Combustors. Taiwan: IUTAM, 1991, 145–146

55
McDaniel M, Tichenor B A. Flare efficiency study. Washington: US Environmental Protection Agency, Industrial Environmental Research Laboratory, 1983, 40–49

56
Singh D K, Gangadharan P, Dabade T, Shinde V, Chen D, Lou H H, Richmond P C, Li X. Parametric study of ethylene flare operations using numerical simulation. Engineering Applications of Computational Fluid Mechanics, 2014, 8(2): 211–228

DOI

Outlines

/