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

Abstract

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 themore » stabilization points in the lifted jet flame.« less

Authors:
; ; ;
Publication Date:
Research Org.:
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 Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1564678
DOE Contract Number:  
AC04-94AL85000; AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Journal of Fluid Mechanics
Additional Journal Information:
Journal Volume: 652; Journal ID: ISSN 0022-1120
Publisher:
Cambridge University Press
Country of Publication:
United States
Language:
English
Subject:
Mechanics; Physics

Citation Formats

LU, T. F., YOO, C. S., CHEN, J. H., and LAW, C. K. Three-dimensional direct numerical simulation of a turbulent lifted hydrogen jet flame in heated coflow: a chemical explosive mode analysis. United States: N. p., 2010. Web. doi:10.1017/s002211201000039x.
LU, T. F., YOO, C. S., CHEN, J. H., & LAW, C. K. Three-dimensional direct numerical simulation of a turbulent lifted hydrogen jet flame in heated coflow: a chemical explosive mode analysis. United States. doi:10.1017/s002211201000039x.
LU, T. F., YOO, C. S., CHEN, J. H., and LAW, C. K. Wed . "Three-dimensional direct numerical simulation of a turbulent lifted hydrogen jet flame in heated coflow: a chemical explosive mode analysis". United States. doi:10.1017/s002211201000039x.
@article{osti_1564678,
title = {Three-dimensional direct numerical simulation of a turbulent lifted hydrogen jet flame in heated coflow: a chemical explosive mode analysis},
author = {LU, T. F. and YOO, C. S. and CHEN, J. H. and LAW, C. K.},
abstractNote = {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.},
doi = {10.1017/s002211201000039x},
journal = {Journal of Fluid Mechanics},
issn = {0022-1120},
number = ,
volume = 652,
place = {United States},
year = {2010},
month = {5}
}

Works referenced in this record:

A detailed investigation of the stabilization point of lifted turbulent diffusion flames
journal, January 1998


An experimental study of hydrogen autoignition in a turbulent co-flow of heated air
journal, January 2005


An automatic procedure for the simplification of chemical kinetic mechanisms based on CSP
journal, July 2006


An algorithm for the construction of global reduced mechanisms with CSP data
journal, June 1999


On slow manifolds of chemically reactive systems
journal, July 2002

  • Singh, Sandeep; Powers, Joseph M.; Paolucci, Samuel
  • The Journal of Chemical Physics, Vol. 117, Issue 4
  • DOI: 10.1063/1.1485959

The CSP method for simplifying kinetics
journal, April 1994

  • Lam, S. H.; Goussis, D. A.
  • International Journal of Chemical Kinetics, Vol. 26, Issue 4
  • DOI: 10.1002/kin.550260408

A numerical study on flame stability at the transition point of jet diffusion flames
journal, January 1996


A numerical study on the formation of diffusion flame islands in a turbulent hydrogen jet lifted flame
journal, January 2005

  • Mizobuchi, Yasuhiro; Shinjo, Junji; Ogawa, Satoru
  • Proceedings of the Combustion Institute, Vol. 30, Issue 1
  • DOI: 10.1016/j.proci.2004.08.142

Transport-chemistry coupling in the reduced description of reactive flows
journal, September 2007


Fast and Slow Dynamics for the Computational Singular Perturbation Method
journal, January 2004

  • Zagaris, Antonios; Kaper, Hans G.; Kaper, Tasso J.
  • Multiscale Modeling & Simulation, Vol. 2, Issue 4
  • DOI: 10.1137/040603577

Global reduced mechanisms for methane and hydrogen combustion with nitric oxide formation constructed with CSP data
journal, June 1999


Reduced Description of Complex Dynamics in Reactive Systems
journal, August 2007

  • Ren, Zhuyin; Pope, Stephen B.
  • The Journal of Physical Chemistry A, Vol. 111, Issue 34
  • DOI: 10.1021/jp0717950

The stabilization mechanism of lifted diffusion flames
journal, March 1966


Higher order corrections in the approximation of low-dimensional manifolds and the construction of simplified problems with the CSP method
journal, November 2005

  • Valorani, Mauro; Goussis, Dimitris A.; Creta, Francesco
  • Journal of Computational Physics, Vol. 209, Issue 2
  • DOI: 10.1016/j.jcp.2005.03.033

Asymptotic analysis of two reduction methods for systems of chemical reactions
journal, May 2002


Liftoff of turbulent jet flames—assessment of edge flame and other concepts using cinema-PIV
journal, August 2004


Simplifying chemical kinetics: Intrinsic low-dimensional manifolds in composition space
journal, March 1992


Assessment of theories for the behavior and blowout of lifted turbulent jet diffusion flames
journal, January 1989


An updated comprehensive kinetic model of hydrogen combustion
journal, January 2004

  • Li, Juan; Zhao, Zhenwei; Kazakov, Andrei
  • International Journal of Chemical Kinetics, Vol. 36, Issue 10
  • DOI: 10.1002/kin.20026

Reduced Chemistry-Diffusion Coupling
journal, March 2007


Computational Singular Perturbation Analysis of Two-Stage Ignition of Large Hydrocarbons
journal, June 2006

  • Kazakov, Andrei; Chaos, Marcos; Zhao, Zhenwei
  • The Journal of Physical Chemistry A, Vol. 110, Issue 21
  • DOI: 10.1021/jp057224u

The stabilization mechanism and structure of turbulent hydrocarbon lifted flames
journal, January 2005

  • Joedicke, Arndt; Peters, Norbert; Mansour, Mohy
  • Proceedings of the Combustion Institute, Vol. 30, Issue 1
  • DOI: 10.1016/j.proci.2004.08.031

An efficient iterative algorithm for the approximation of the fast and slow dynamics of stiff systems
journal, May 2006


A numerical study of auto-ignition in turbulent lifted flames issuing into a vitiated co-flow
journal, April 2007


Intrinsic low-dimensional manifold method extended with diffusion
journal, January 2002


Model Reduction and Physical Understanding of Slowly Oscillating Processes: The Circadian Cycle
journal, January 2006

  • Goussis, Dimitris A.; Najm, Habib N.
  • Multiscale Modeling & Simulation, Vol. 5, Issue 4
  • DOI: 10.1137/060649768

Spatial Dynamics of Steady Flames 1. Phase Space Structure and the Dynamics of Individual Trajectories
journal, August 2008

  • Davis, Michael J.; Tomlin, Alison S.
  • The Journal of Physical Chemistry A, Vol. 112, Issue 34
  • DOI: 10.1021/jp801367x

Terascale direct numerical simulations of turbulent combustion using S3D
journal, January 2009


Low-Dimensional Manifolds in Reaction−Diffusion Equations. 1. Fundamental Aspects
journal, April 2006

  • Davis, Michael J.
  • The Journal of Physical Chemistry A, Vol. 110, Issue 16
  • DOI: 10.1021/jp055592s

Simultaneous laser raman-rayleigh-lif measurements and numerical modeling results of a lifted turbulent H2/N2 jet flame in a vitiated coflow
journal, January 2002


The structure of turbulent nonpremixed flames
journal, January 1989


On the Construction and Use of Reduced Chemical Kinetic Mechanisms Produced on the Basis of Given Algebraic Relations
journal, October 1996


Analysis of the Computational Singular Perturbation Reduction Method for Chemical Kinetics
journal, January 2004


Ignition of counterflowing methane versus heated air under reduced and elevated pressures
journal, March 1997


The use of slow manifolds in reactive flows
journal, December 2006


A CSP and tabulation-based adaptive chemistry model
journal, February 2007


Liftoff characteristics of turbulent jet diffusion flames
journal, March 1983

  • Peters, Norbert; Williams, Forman A.
  • AIAA Journal, Vol. 21, Issue 3
  • DOI: 10.2514/3.8089

Lift-off Heights and Visible Lengths of Vertical Turbulent Jet Diffusion Flames in Still Air
journal, September 1984


Experimental investigation of stabilization mechanisms in turbulent, lifted jet diffusion flames
journal, February 2006


Using CSP to Understand Complex Chemical Kinetics
journal, March 1993


Stabilization, propagation and instability of tribrachial triple flames
journal, January 2007


Two perspectives on reduction of ordinary differential equations
journal, October 2005

  • Zagaris, Antonios; Kaper, Hans G.; Kaper, Tasso J.
  • Mathematische Nachrichten, Vol. 278, Issue 12-13
  • DOI: 10.1002/mana.200410328

DNS study of stabilization of turbulent triple flames by hot gases
journal, January 2007


Some Aspects of Chemical Kinetics in Chapman-Jouguet Detonation: Induction Length Analysis
journal, September 2003

  • Lu, Tianfeng; Law, Chung K.; Ju, Yiguang
  • Journal of Propulsion and Power, Vol. 19, Issue 5
  • DOI: 10.2514/2.6181