325
Views
19
CrossRef citations to date
0
Altmetric
Original Articles

Uncertainty propagation of chemical kinetics parameters and binary diffusion coefficients in predicting extinction limits of hydrogen/oxygen/nitrogen non-premixed flames

, &
Pages 1029-1052 | Received 17 Feb 2012, Accepted 01 May 2012, Published online: 04 Sep 2012

References

  • Hong , Z. , Davidson , D. F. , Barbour , E. A. and Hanson , R. K. 2011 . A new shock tube study of the H + O2=OH + O reaction rate using tunable diode laser absorption of H2O near 2.5 μm . Proc. Combust. Inst. , 33 : 309 – 316 . doi: 10.1016/j.proci.2010.05.101
  • Hong , Z. , Davidson , D. F. and Hanson , R. K. 2011 . An improved H2/O2 mechanism based on recent shock tube/laser absorption measurements . Combust. Flame , 158 : 633 – 644 . doi: 10.1016/j.combustflame.2010.10.002
  • Burke , M. P. , Chaos , M. , Ju , Y. , Dryer , F. L. and Klippenstein , S. J. 2012 . Comprehensive H2/O2 kinetic model for high-pressure combustion . Int. J. Chem. Kinetics , 44 : 444 – 474 . doi: 10.1002/kin.20603
  • Balakrishnan , G. , Trees , D. and Williams , F. A. 1994 . An experimental investigation of strain-induced extinction of diluted hydrogen–air counterflow diffusion flames . Combust. Flame , 98 : 123 – 126 . doi: 10.1016/0010-2180(94)90202-X
  • Trees , D. , Brow , T. M. , Seshadri , K. , Smooke , M. D. , Balakrishnan , G. , Pitz , R. W. , Giovangigli , V. and Nandula , S. P. 1995 . The structure of nonpremixed hydrogen–air flames . Combust. Sci. Technol. , 104 : 427 – 439 . doi: 10.1080/00102209508907731
  • Pellet , G.L. , Vaden , S.N. and Wilson . July 2007 . “ Opposed jet burner extinction limits: Simple mixed hydrocarbons scramjet fuels vs. air ” . In AIAA 2007-5664 in 43rd AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit 8 – 11 . Cincinnati , OH
  • Mishra , M. K. , Yetter , R. , Reuven , Y. , Rabitz , H. and Smooke , M. D. 1994 . On the role of transport in the combustion kinetics of a steady-state premixed laminar CO + H+  flame . Int. J. Chem. Kinetics , 26 : 437 – 453 . doi: 10.1002/kin.550260406
  • Brown , N. J. and Revzan , K. L. 2005 . Comparative sensitivity analysis of transport properties and reaction rate coefficients . Int. J. Chem. Kinetics , 37 : 538 – 553 . doi: 10.1002/kin.20107
  • Zhao , Z. , Li , J. , Kazakov , A. and Dryer , F. L. 2005 . Temperature-dependent feature sensitivity analysis for combustion modeling . Int. J. Chem. Kinetics , 37 : 282 – 295 . doi: 10.1002/kin.20080
  • Dong , Y. , Holley , A. T. , Andac , M. G. , Egolfopoulos , F. N. , Davis , S. , Middha , P. and Wang , H. 2005 . Extinction of premixed H/air flames: Chemical kinetics and molecular diffusion effects . Combust. Flame , 142 : 374 – 387 . doi: 10.1016/j.combustflame.2005.03.017
  • Andac , M. G. and Egolfopoulos , F. N. 2007 . Diffusion and kinetics effects on the ignition of premixed and non-premixed flames . Proc. Combust. Inst. , 31 : 1165 – 1172 . doi: 10.1016/j.proci.2006.07.254
  • Holley , A. T. , You , X. Q. , Dames , E. , Wang , H. and Egolfopoulos , F. N. 2009 . Sensitivity of propagation and extinction of large hydrocarbon flames to fuel diffusion . Proc. Combust. Inst. , 32 : 1157 – 1163 . doi: 10.1016/j.proci.2008.05.067
  • Morris , M. D. 1991 . Factorial sampling plans for preliminary computational experiments . Technometrics , 33 : 161 – 174 . doi: 10.1080/00401706.1991.10484804
  • Li , G. , Rosenthal , C. and Rabitz , H. 2001 . High dimensional model representations . J. Phys. Chem. , A 105 : 7765 – 7777 . doi: 10.1021/jp010450t
  • Esposito , G. 2011 . Chemical mechanism reduction and uncertainty analysis based on local and global sensitivities, PhD Thesis, University of Virginia ,
  • Ziehn , T. and Tomlin , A. S. 2009 . GUI-HDMR – a software tool for global sensitivity analysis of complex models . Environ. Model. & Softw. , 24 : 775 – 785 . doi: 10.1016/j.envsoft.2008.12.002
  • Wang , H. , Dames , E. , Sirjean , B. , Sheen , D.A. , Tangko , R. , Violi , A. , Lai , J.Y.W. , Egolfopoulos , F.N. , Davidson , D.F. , Hanson , R.K. , Bowman , C.T. , Law , C.K. , Tsang , W. , Cernansky , N.P. , Miller , D.L. and Lindstedt , R.P. 2011 . A high-temperature chemical kinetic model of n-alkane (up to n-dodecane), cyclohexane, and methyl-, ethyl-, n-propyl and n-butyl-cyclohexane oxidation at high temperatures (jetsurf 2.0), Tech. Rep., Combustion Kinetics Laboratory, University of Southern California, 2011 . Available at: http://melchior.usc.edu/JetSurF/JetSurF2.0/Index.html.
  • Sheen , D. A. and Wang , H. 2011 . Combustion kinetic modeling using multispecies time histories in shock-tube oxidation of heptane . Combust. Flame , 158 : 645 – 656 . doi: 10.1016/j.combustflame.2010.12.016
  • Sarnacki , B. G. , Esposito , G. , Krauss , R. K. and Chelliah , H. K. 2012 . Extinction limits and associated uncertainties of non-premixed counterflow flames of methane, ethylene, propylene and n-butane in air . Combust. Flame , 159 : 1026 – 1043 . doi: 10.1016/j.combustflame.2011.09.007
  • Potter , A. E. , Heimel , S. and Butler , J. N. 1960 . Apparent flame strength: A measure of maximum reaction rate in diffusion flames . Proc. Combust. Inst. , 8 : 1027 – 1034 .
  • Gutheil , E. and Williams , F. A. 1991 . A numerical and asymptotic investigation of structures of hydrogen–air diffusion flames at pressures and temperatures of high-speed combustion . Symp. (Int.) Combust. , 23 : 513 – 521 . doi: 10.1016/S0082-0784(06)80298-5
  • NIST . 2011 . NIST/SEMATECH e-Handbook of Statistical Methods , Tech. Rep. National Institute of Standards and Technology/SEmiconductor MAnufacturing TECHnology consortium .
  • Smooke , M. D. , Crump , J. , Seshadri , K. and Giovangigli , V. 1991 . Comparison between experimental measurements and numerical calculations of the structure of counterflow, diluted, methane–air, premixed flames . Symp. (Int.) Combust. , 23 : 463 – 470 . doi: 10.1016/S0082-0784(06)80292-4
  • Chelliah , H. K. , Law , C. K. , Ueda , T. , Smooke , M. D. and Williams , F. A. 1991 . An experimental and theoretical investigation of the dilution, pressure and flow-field effects on the extinction condition of methane–air–nitrogen diffusion flames . Symp. (Int.) Combust. , 23 : 503 – 511 . doi: 10.1016/S0082-0784(06)80297-3
  • Lentati , A. M. and Chelliah , H. K. 1998 . Dynamics of water droplets in a counterflow field and their effect on flame extinction . Combust. Flame , 115 : 158 – 179 . doi: 10.1016/S0010-2180(97)00355-6
  • Williams , F. A. 1985 . Combustion Theory , 2nd ed. , Boulder , CO : Westview Press .
  • Kee , R. J. , Dixon-Lewis , G. , Warnatz , J. , Coltrin , M. E. and Miller , J. A. 1988 . A computer code package for the evaluation of gas-phase, multicomponent transport properties , Livermore , CA : Tech. Rep. Sandia National Laboratories .
  • Middha , P. , Yang , B. and Wang , H. 2002 . A first-principle calculation of the binary diffusion coefficients pertinent to kinetic modeling of hydrogen/oxygen/helium flames . Proc. Combust. Inst. , 29 : 1361 – 1369 . doi: 10.1016/S1540-7489(02)80167-5
  • Saltelli , A. , Ratto , M. , Andres , T. , Campolongo , F. , Cariboni , J. , Gatelli , D. , Saisana , M. and Tarantola , T. 2008 . Global Sensitivity Analysis: The Primer , Chichester , UK : John Wiley .
  • Sobol , I. M. 1979 . Systematic search in a hypercube . Siam J. Numer. Anal. , 16 : 790 – 793 . doi: 10.1137/0716058
  • Li , G. Y. , Wang , S. W. and Rabitz , H. 2002 . Practical approaches to construct RS-HDMR component functions . J. Phys. Chem. , A 106 : 8721 – 8733 . doi: 10.1021/jp014567t
  • Li , G. Y. , Rabitz , H. , Wang , S. W. and Georgopoulos , P. G. 2003 . Correlation method for variance reduction of Monte Carlo integration in RS-HDMR . J. Comput. Chem. , 24 : 277 – 283 . doi: 10.1002/jcc.10172
  • Stallcop , J. , Partridge , H. and Levin , E. 2000 . Effective potential energies and transport cross sections for interactions of hydrogen and nitrogen . Phys. Rev. , A 62 : 1 – 15 .
  • Fokin , L. R. and Kalashnikov , A. N. 2009 . The transport properties of an N–H . mixture of rarefied gases in the EPIDIF database, High Temp. , 47 : 643 – 655 .
  • Blyth , G. , Clifford , A. A. , Gray , P. and Waddicor , J. I. 1987 . Direct measurement of the diffusion coefficients of hydrogen atoms in six gases . J. Chem. Soc., Faraday Trans. 1 , 83 : 751 – 757 . doi: 10.1039/f19878300751
  • Matsunaga , N. , Hori , M. and Nagashima , A. Measurement of mutual diffusion coefficients of gases by the Taylor method: Measurements on H–Air, H–N, and H–O systems . Heat Trans. Asian Res. 31 (2002 , 182 – 193 .
  • Sheen , D. A. , You , X. , Wang , H. and Løvås , T. 2009 . Spectral uncertainty quantification, propagation and optimization of a detailed kinetic model for ethylene combustion . Proc. Combust. Inst. , 32 : 535 – 542 . doi: 10.1016/j.proci.2008.05.042
  • Nagy , T. and Turanyi , T. 2011 . Uncertainty of Arrhenius parameters . Int. J. Chem. Kinetics , 43 : 359 – 378 . doi: 10.1002/kin.20551
  • Mueller , M. A. , Kim , T. J. and Yetter , R. A. 1999 . Flow reactor studies and kinetic modeling of the H/O reaction . Int. J. Chem. Kinetics , 31 : 113 – 125 . doi: 10.1002/(SICI)1097-4601(1999)31:2<113::AID-KIN5>3.0.CO;2-0

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.