Three-dimensional direct numerical simulation of a turbulent lifted hydrogen jet flame in heated coflow: a chemical explosive mode analysis

LU, T. F.; YOO, C. S.; CHEN, J. H.; LAW, C. K.

doi:10.1017/s002211201000039x

Three-dimensional direct numerical simulation of a turbulent lifted hydrogen jet flame in heated coflow: a chemical explosive mode analysis

Journal Article · Wed May 19 04:00:00 EDT 2010 · Journal of Fluid Mechanics

DOI:https://doi.org/10.1017/s002211201000039x· OSTI ID:1564678

LU, T. F.; YOO, C. S.; CHEN, J. H.; LAW, C. K.

A chemical explosive mode analysis (CEMA) was developed as a new diagnostic to identify flame and ignition structure in complex flows. CEMA was then used to analyse the near-field structure of the stabilization region of a turbulent lifted hydrogen–air slot jet flame in a heated air coflow computed with three-dimensional direct numerical simulation. The simulation was performed with a detailed hydrogen–air mechanism and mixture-averaged transport properties at a jet Reynolds number of 11000 with over 900 million grid points. Explosive chemical modes and their characteristic time scales, as well as the species involved, were identified from the Jacobian matrix of the chemical source terms for species and temperature. An explosion index was defined for explosive modes, indicating the contribution of species and temperature in the explosion process. Radical and thermal runaway can consequently be distinguished. CEMA of the lifted flame shows the existence of two premixed flame fronts, which are difficult to detect with conventional methods. The upstream fork preceding the two flame fronts thereby identifies the stabilization point. A Damköhler number was defined based on the time scale of the chemical explosive mode and the local instantaneous scalar dissipation rate to highlight the role of auto-ignition in affecting the stabilization points in the lifted jet flame.

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF), Oak Ridge, TN (United States); Lockheed Martin Corporation, Littleton, CO (United States); UT-Battelle LLC/ORNL, Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: AC04-94AL85000; AC05-00OR22725

OSTI ID:: 1564678

Journal Information:: Journal of Fluid Mechanics, Journal Name: Journal of Fluid Mechanics Vol. 652; ISSN 0022-1120

Publisher:: Cambridge University Press

Country of Publication:: United States

Language:: English

References (49)

Asymptotic analysis of two reduction methods for systems of chemical reactions Kaper, Hans G.; Kaper, Tasso J. Physica D: Nonlinear Phenomena, Vol. 165, Issue 1-2 https://doi.org/10.1016/S0167-2789(02)00386-X	journal	May 2002
An algorithm for the construction of global reduced mechanisms with CSP data Massias, A.; Diamantis, D.; Mastorakos, E. Combustion and Flame, Vol. 117, Issue 4 https://doi.org/10.1016/S0010-2180(98)00132-1	journal	June 1999
Transport-chemistry coupling in the reduced description of reactive flows Ren, Zhuyin; Pope, Stephen B. Combustion Theory and Modelling, Vol. 11, Issue 5 https://doi.org/10.1080/13647830701200000	journal	September 2007
An updated comprehensive kinetic model of hydrogen combustion Li, Juan; Zhao, Zhenwei; Kazakov, Andrei International Journal of Chemical Kinetics, Vol. 36, Issue 10 https://doi.org/10.1002/kin.20026	journal	January 2004
A numerical study on flame stability at the transition point of jet diffusion flames Yamashita, H.; Shimada, M.; Takeno, T. Symposium (International) on Combustion, Vol. 26, Issue 1 https://doi.org/10.1016/S0082-0784(96)80196-2	journal	January 1996
On the Construction and Use of Reduced Chemical Kinetic Mechanisms Produced on the Basis of Given Algebraic Relations Goussis, D. A. Journal of Computational Physics, Vol. 128, Issue 2 https://doi.org/10.1006/jcph.1996.0209	journal	October 1996
An experimental study of hydrogen autoignition in a turbulent co-flow of heated air Markides, C. N.; Mastorakos, E. Proceedings of the Combustion Institute, Vol. 30, Issue 1 https://doi.org/10.1016/j.proci.2004.08.024	journal	January 2005
Computational Singular Perturbation Analysis of Two-Stage Ignition of Large Hydrocarbons ^† Kazakov, Andrei; Chaos, Marcos; Zhao, Zhenwei The Journal of Physical Chemistry A, Vol. 110, Issue 21 https://doi.org/10.1021/jp057224u	journal	June 2006
Reduced Chemistry-Diffusion Coupling Lam, S. H. Combustion Science and Technology, Vol. 179, Issue 4 https://doi.org/10.1080/00102200601093498	journal	March 2007
Simplifying chemical kinetics: Intrinsic low-dimensional manifolds in composition space Maas, U.; Pope, S. B. Combustion and Flame, Vol. 88, Issue 3-4 https://doi.org/10.1016/0010-2180(92)90034-M	journal	March 1992
Spatial Dynamics of Steady Flames 1. Phase Space Structure and the Dynamics of Individual Trajectories Davis, Michael J.; Tomlin, Alison S. The Journal of Physical Chemistry A, Vol. 112, Issue 34 https://doi.org/10.1021/jp801367x	journal	August 2008
A numerical study of auto-ignition in turbulent lifted flames issuing into a vitiated co-flow Gordon, R. L.; Masri, A. R.; Pope, S. B. Combustion Theory and Modelling, Vol. 11, Issue 3 https://doi.org/10.1080/13647830600903472	journal	April 2007
Two perspectives on reduction of ordinary differential equations Zagaris, Antonios; Kaper, Hans G.; Kaper, Tasso J. Mathematische Nachrichten, Vol. 278, Issue 12-13 https://doi.org/10.1002/mana.200410328	journal	October 2005
An automatic procedure for the simplification of chemical kinetic mechanisms based on CSP Valorani, M.; Creta, F.; Goussis, D. Combustion and Flame, Vol. 146, Issue 1-2 https://doi.org/10.1016/j.combustflame.2006.03.011	journal	July 2006
CSP analysis of a transient flame-vortex interaction Valorani, Mauro; Najm, Habib N.; Goussis, Dimitris A. Combustion and Flame, Vol. 134, Issue 1-2 https://doi.org/10.1016/S0010-2180(03)00067-1	journal	July 2003
Simultaneous laser raman-rayleigh-lif measurements and numerical modeling results of a lifted turbulent H2/N2 jet flame in a vitiated coflow Cabra, R.; Myhrvold, T.; Chen, J. Y. Proceedings of the Combustion Institute, Vol. 29, Issue 2 https://doi.org/10.1016/S1540-7489(02)80228-0	journal	January 2002
Using CSP to Understand Complex Chemical Kinetics Lam, S. H. Combustion Science and Technology, Vol. 89, Issue 5-6 https://doi.org/10.1080/00102209308924120	journal	March 1993
The stabilization mechanism of lifted diffusion flames Vanquickenborne, L.; van Tiggelen, A. Combustion and Flame, Vol. 10, Issue 1 https://doi.org/10.1016/0010-2180(66)90028-9	journal	March 1966
A detailed investigation of the stabilization point of lifted turbulent diffusion flames Tacke, M. M.; Geyer, D.; Hassel, E. P. Symposium (International) on Combustion, Vol. 27, Issue 1 https://doi.org/10.1016/S0082-0784(98)80518-3	journal	January 1998
Model Reduction and Physical Understanding of Slowly Oscillating Processes: The Circadian Cycle Goussis, Dimitris A.; Najm, Habib N. Multiscale Modeling & Simulation, Vol. 5, Issue 4 https://doi.org/10.1137/060649768	journal	January 2006
A criterion based on computational singular perturbation for the identification of quasi steady state species: A reduced mechanism for methane oxidation with NO chemistry Lu, Tianfeng; Law, Chung K. Combustion and Flame, Vol. 154, Issue 4 https://doi.org/10.1016/j.combustflame.2008.04.025	journal	September 2008
Experimental investigation of stabilization mechanisms in turbulent, lifted jet diffusion flames Su, L.; Sun, O.; Mungal, M. Combustion and Flame, Vol. 144, Issue 3 https://doi.org/10.1016/j.combustflame.2005.08.010	journal	February 2006
Complex CSP for chemistry reduction and analysis Lu, Tianfeng; Ju, Yiguang; Law, Chung K. Combustion and Flame, Vol. 126, Issue 1-2 https://doi.org/10.1016/S0010-2180(01)00252-8	journal	July 2001
Higher order corrections in the approximation of low-dimensional manifolds and the construction of simplified problems with the CSP method Valorani, Mauro; Goussis, Dimitris A.; Creta, Francesco Journal of Computational Physics, Vol. 209, Issue 2 https://doi.org/10.1016/j.jcp.2005.03.033	journal	November 2005
Three-dimensional direct numerical simulation of a turbulent lifted hydrogen jet flame in heated coflow: flame stabilization and structure Yoo, C. S.; Sankaran, R.; Chen, J. H. Journal of Fluid Mechanics, Vol. 640 https://doi.org/10.1017/S0022112009991388	journal	December 2009
An efficient iterative algorithm for the approximation of the fast and slow dynamics of stiff systems Goussis, Dimitris A.; Valorani, Mauro Journal of Computational Physics, Vol. 214, Issue 1 https://doi.org/10.1016/j.jcp.2005.09.019	journal	May 2006
Terascale direct numerical simulations of turbulent combustion using S3D Chen, J. H.; Choudhary, A.; de Supinski, B. Computational Science & Discovery, Vol. 2, Issue 1 https://doi.org/10.1088/1749-4699/2/1/015001	journal	January 2009
Low-Dimensional Manifolds in Reaction−Diffusion Equations. 1. Fundamental Aspects ^† Davis, Michael J. The Journal of Physical Chemistry A, Vol. 110, Issue 16 https://doi.org/10.1021/jp055592s	journal	April 2006
A numerical study on the formation of diffusion flame islands in a turbulent hydrogen jet lifted flame Mizobuchi, Yasuhiro; Shinjo, Junji; Ogawa, Satoru Proceedings of the Combustion Institute, Vol. 30, Issue 1 https://doi.org/10.1016/j.proci.2004.08.142	journal	January 2005
The CSP method for simplifying kinetics Lam, S. H.; Goussis, D. A. International Journal of Chemical Kinetics, Vol. 26, Issue 4 https://doi.org/10.1002/kin.550260408	journal	April 1994
Lift-off Heights and Visible Lengths of Vertical Turbulent Jet Diffusion Flames in Still Air T., Gautam Combustion Science and Technology, Vol. 41, Issue 1-2 https://doi.org/10.1080/00102208408923819	journal	September 1984
The stabilization mechanism and structure of turbulent hydrocarbon lifted flames Joedicke, Arndt; Peters, Norbert; Mansour, Mohy Proceedings of the Combustion Institute, Vol. 30, Issue 1 https://doi.org/10.1016/j.proci.2004.08.031	journal	January 2005
Liftoff characteristics of turbulent jet diffusion flames Peters, Norbert; Williams, Forman A. AIAA Journal, Vol. 21, Issue 3 https://doi.org/10.2514/3.8089	journal	March 1983
Analysis of the Computational Singular Perturbation Reduction Method for Chemical Kinetics Zagaris, A.; Kaper, H. G.; Kaper, T. J. Journal of Nonlinear Science, Vol. 14, Issue 1 https://doi.org/10.1007/s00332-003-0582-9	journal	January 2004
A CSP and tabulation-based adaptive chemistry model Lee, J. C.; Najm, H. N.; Lefantzi, S. Combustion Theory and Modelling, Vol. 11, Issue 1 https://doi.org/10.1080/13647830600763595	journal	February 2007
On slow manifolds of chemically reactive systems Singh, Sandeep; Powers, Joseph M.; Paolucci, Samuel The Journal of Chemical Physics, Vol. 117, Issue 4 https://doi.org/10.1063/1.1485959	journal	July 2002
The use of slow manifolds in reactive flows Ren, Zhuyin; Pope, Stephen B. Combustion and Flame, Vol. 147, Issue 4 https://doi.org/10.1016/j.combustflame.2006.09.002	journal	December 2006
Stabilization, propagation and instability of tribrachial triple flames Chung, S. H. Proceedings of the Combustion Institute, Vol. 31, Issue 1 https://doi.org/10.1016/j.proci.2006.08.117	journal	January 2007
DNS study of stabilization of turbulent triple flames by hot gases Jiménez, C.; Cuenot, B. Proceedings of the Combustion Institute, Vol. 31, Issue 1 https://doi.org/10.1016/j.proci.2006.07.144	journal	January 2007
Fast and Slow Dynamics for the Computational Singular Perturbation Method Zagaris, Antonios; Kaper, Hans G.; Kaper, Tasso J. Multiscale Modeling & Simulation, Vol. 2, Issue 4 https://doi.org/10.1137/040603577	journal	January 2004
The structure of turbulent nonpremixed flames Bilger, R. W. Symposium (International) on Combustion, Vol. 22, Issue 1 https://doi.org/10.1016/S0082-0784(89)80054-2	journal	January 1989
Intrinsic low-dimensional manifold method extended with diffusion Bongers, H.; Van Oijen, J. A.; De Goey, L. P. H. Proceedings of the Combustion Institute, Vol. 29, Issue 1 https://doi.org/10.1016/S1540-7489(02)80168-7	journal	January 2002
Some Aspects of Chemical Kinetics in Chapman-Jouguet Detonation: Induction Length Analysis Lu, Tianfeng; Law, Chung K.; Ju, Yiguang Journal of Propulsion and Power, Vol. 19, Issue 5 https://doi.org/10.2514/2.6181	journal	September 2003
Liftoff of turbulent jet flames—assessment of edge flame and other concepts using cinema-PIV Upatnieks, Ansis; Driscoll, James F.; Rasmussen, Chadwick C. Combustion and Flame, Vol. 138, Issue 3 https://doi.org/10.1016/j.combustflame.2004.04.011	journal	August 2004
Assessment of theories for the behavior and blowout of lifted turbulent jet diffusion flames Pitts, William M. Symposium (International) on Combustion, Vol. 22, Issue 1 https://doi.org/10.1016/S0082-0784(89)80090-6	journal	January 1989
Reduced Description of Complex Dynamics in Reactive Systems Ren, Zhuyin; Pope, Stephen B. The Journal of Physical Chemistry A, Vol. 111, Issue 34 https://doi.org/10.1021/jp0717950	journal	August 2007
Global reduced mechanisms for methane and hydrogen combustion with nitric oxide formation constructed with CSP data Massias, A.; Diamantis, D.; Mastorakos, E. Combustion Theory and Modelling, Vol. 3, Issue 2 https://doi.org/10.1088/1364-7830/3/2/002	journal	June 1999
Ignition of counterflowing methane versus heated air under reduced and elevated pressures Fotache, C. Combustion and Flame, Vol. 108, Issue 4 https://doi.org/10.1016/S0010-2180(97)81404-6	journal	March 1997
Asymptotic Solution of Stiff PDEs with the CSP Method: The Reaction Diffusion Equation Hadjinicolaou, M.; Goussis, D. A. SIAM Journal on Scientific Computing, Vol. 20, Issue 3 https://doi.org/10.1137/S1064827596303995	journal	January 1998

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