Studies of premixed and non-premixed hydrogen flames

Park, Okjoo; Veloo, Peter S.; Burbano, Hugo; Egolfopoulos, Fokion N.

doi:10.1016/j.combustflame.2014.09.027

Studies of premixed and non-premixed hydrogen flames

Journal Article · Mon Oct 20 00:00:00 EDT 2014 · Combustion and Flame

DOI:https://doi.org/10.1016/j.combustflame.2014.09.027· OSTI ID:1369854

Park, Okjoo ^[1]; Veloo, Peter S. ^[2]; Burbano, Hugo ^[1]; Egolfopoulos, Fokion N. ^[1]

Univ. of Southern California, Los Angeles, CA (United States)
Failure Analysis Associates, Los Angeles, CA (United States)

The hydrogen oxidation chemistry constitutes the foundation of the kinetics of all carbon- and hydrogen-containing fuels. The validation of rate constants of hydrogen-related reactions can be complicated by uncertainties associated with experimental data caused by the high reactivity and diffusivity of hydrogen.Here, accurate experimental data on flame propagation and extinction were determined for premixed and non-premixed hydrogen flames at pressures between p = 1 and 7 atm. The experiments were designed to sensitize the three-body H + O₂ + M → HO₂ + M reaction, whose rate is subject to notable uncertainty. This was achieved by increasing the pressure and by adding to the reactants H₂O and CO₂ whose collision efficiencies are high compared to other species. In the present study, directly measured flame properties were compared against computed ones, in order to eliminate uncertainties associated with extrapolations, as is the case for laminar flame speeds. The measured extinction strain rates exhibit both a positive and negative dependence on pressure with and without weighting with the density, and this non-monotonic behavior is caused by the competition between the H + O₂ → O + OH and H + O₂ + M → HO₂ + M reactions as well as HO₂ kinetic pathways as pressure increases. The various kinetic models considered in this investigation did not reproduce equally well the non-premixed flame extinction data with added H₂O. Yet, the predicted extinction strain rates were consistent between the various models in the case of added CO₂. Finally, it was shown that the formulation of binary diffusion coefficient pairs including H–N₂ and H₂–N₂ has a first order effect on the prediction of extinction strain rates of non-premixed H₂ flames.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Combustion Energy Frontier Research Center (CEFRC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0001198

OSTI ID:: 1369854

Alternate ID(s):: OSTI ID: 1246726

Journal Information:: Combustion and Flame, Journal Name: Combustion and Flame Journal Issue: 4 Vol. 162; ISSN 0010-2180

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (69)

A comprehensive modeling study of hydrogen oxidation: A Comprehensive Modeling Study of Hydrogen Oxidation Ó Conaire, Marcus; Curran, Henry J.; Simmie, John M. International Journal of Chemical Kinetics, Vol. 36, Issue 11 https://doi.org/10.1002/kin.20036	journal	August 2004
A comprehensive kinetic mechanism for CO, CH ₂ O, and CH ₃ OH combustion : Comprehensive Kinetic Mechanism for CO, CH Li, Juan; Zhao, Zhenwei; Kazakov, Andrei International Journal of Chemical Kinetics, Vol. 39, Issue 3 https://doi.org/10.1002/kin.20218	journal	January 2007
Comprehensive H2/O2 kinetic model for high-pressure combustion Burke, Michael P.; Chaos, Marcos; Ju, Yiguang International Journal of Chemical Kinetics, Vol. 44, Issue 7 https://doi.org/10.1002/kin.20603	journal	December 2011
Asymptotic structure and extinction of diffusion flames with chain mechanism Birkan, M. A.; Law, C. K. Combustion and Flame, Vol. 73, Issue 2 https://doi.org/10.1016/0010-2180(88)90042-9	journal	August 1988
Chain mechanisms in the overall reaction orders in laminar flame propagation Egolfopoulos, F. N.; Law, C. K. Combustion and Flame, Vol. 80, Issue 1 https://doi.org/10.1016/0010-2180(90)90049-W	journal	April 1990
The asymptotic structure of hydrogen-air diffusion flames Balakrishnan, G.; Treviño, C.; Mauss, F. Combustion and Flame, Vol. 91, Issue 3-4 https://doi.org/10.1016/0010-2180(92)90057-V	journal	December 1992
A numerical investigation of extinction and ignition limits in laminar nonpremixed counterflowing hydrogen-air streams for both elementary and reduced chemistry Balakrishnan, G.; Smooke, M. D.; Williams, F. A. Combustion and Flame, Vol. 102, Issue 3 https://doi.org/10.1016/0010-2180(95)00031-Z	journal	August 1995
A flame-controlling continuation method for generating S-curve responses with detailed chemistry Nishioka, M.; Law, C. K.; Takeno, T. Combustion and Flame, Vol. 104, Issue 3 https://doi.org/10.1016/0010-2180(95)00132-8	journal	February 1996
Flame stretch interactions of laminar premixed hydrogen/air flames at normal temperature and pressure Aung, K. T.; Hassan, M. I.; Faeth, G. M. Combustion and Flame, Vol. 109, Issue 1-2 https://doi.org/10.1016/S0010-2180(96)00151-4	journal	April 1997
Velocity and Thermal Structure, and Strain-Induced Extinction of 14 to 100% Hydrogen-Air Counterflow Diffusion Flames Pellett, G. Combustion and Flame, Vol. 112, Issue 4 https://doi.org/10.1016/S0010-2180(97)00169-7	journal	March 1998
Effect of pressure on the extinction, acoustic pressure response, and NO formation in diluted hydrogen–air diffusion flames Sohn, C. H.; Chung, S. H. Combustion and Flame, Vol. 121, Issue 1-2 https://doi.org/10.1016/S0010-2180(99)00140-6	journal	April 2000
Detailed modeling of the temperature and pressure dependence of the reaction H+O2 (+M)→HO2 (+M) Troe, Jürgen Proceedings of the Combustion Institute, Vol. 28, Issue 2 https://doi.org/10.1016/S0082-0784(00)80542-1	journal	January 2000
Morphology and burning rates of expanding spherical flames in H2/O2/inert mixtures up to 60 atmospheres Tse, S. D.; Zhu, D. L.; Law, C. K. Proceedings of the Combustion Institute, Vol. 28, Issue 2 https://doi.org/10.1016/S0082-0784(00)80581-0	journal	January 2000
Extinction of near-limit premixed flames in microgravity Zhang, Hai; Egolfopoulos, Fokion N. Proceedings of the Combustion Institute, Vol. 28, Issue 2 https://doi.org/10.1016/S0082-0784(00)80591-3	journal	January 2000
The use of expanding spherical flames to determine burning velocities and stretch effects in hydrogen/air mixtures Dowdy, David R.; Smith, David B.; Taylor, Simon C. Symposium (International) on Combustion, Vol. 23, Issue 1 https://doi.org/10.1016/S0082-0784(06)80275-4	journal	January 1991
An experimental and computational study of the burning rates of ultra-lean to moderately-rich H2/O2/N2 laminar flames with pressure variations Egolfopoulos, F. N.; Law, C. K. Symposium (International) on Combustion, Vol. 23, Issue 1 https://doi.org/10.1016/S0082-0784(06)80276-6	journal	January 1991
An experimental and theoretical investigation of the dilution, pressure and flow-field effects on the extinction condition of methane-air-nitrogen diffusion flames Chelliah, H. K.; Law, C. K.; Ueda, T. Symposium (International) on Combustion, Vol. 23, Issue 1 https://doi.org/10.1016/S0082-0784(06)80297-3	journal	January 1991
Effects of pressure and dilution on the extinction of counterflow nonpremixed hydrogen-air flames Papas, P.; Glassman, I.; Law, C. K. Symposium (International) on Combustion, Vol. 25, Issue 1 https://doi.org/10.1016/S0082-0784(06)80775-7	journal	January 1994
Geometric and radiation effects on steady and unsteady strained laminar flames Egolfopoulos, F. N. Symposium (International) on Combustion, Vol. 25, Issue 1 https://doi.org/10.1016/S0082-0784(06)80780-0	journal	January 1994
On the determination of laminar flame speeds from stretched flames Wu, C. K.; Law, C. K. Symposium (International) on Combustion, Vol. 20, Issue 1 https://doi.org/10.1016/S0082-0784(85)80693-7	journal	January 1985
A hybrid Newton/time-integration procedure for the solution of steady, laminar, one-dimensional, premixed flames Grcar, Joseph F.; Kee, Robert J.; Smooke, Mitchell D. Symposium (International) on Combustion, Vol. 21, Issue 1 https://doi.org/10.1016/S0082-0784(88)80411-9	journal	January 1988
A computational model of the structure and extinction of strained, opposed flow, premixed methane-air flames Kee, Robert J.; Miller, James A.; Evans, Gregory H. Symposium (International) on Combustion, Vol. 22, Issue 1 https://doi.org/10.1016/S0082-0784(89)80158-4	journal	January 1989
Power generation and aeropropulsion gas turbines: From combustion science to combustion technology Correa, Sanjay M. Symposium (International) on Combustion, Vol. 27, Issue 2 https://doi.org/10.1016/S0082-0784(98)80021-0	journal	January 1998
Non-premixed hydrocarbon ignition at high strain rates Egolfopoulos, Fokion N.; Dimotakis, Paul E. Symposium (International) on Combustion, Vol. 27, Issue 1 https://doi.org/10.1016/S0082-0784(98)80456-6	journal	January 1998
Laminar flame velocity determination for H2–air–He–CO2 mixtures using the spherical bomb method Lamoureux, N.; Djebaı̈li-Chaumeix, N.; Paillard, C. -E Experimental Thermal and Fluid Science, Vol. 27, Issue 4 https://doi.org/10.1016/S0894-1777(02)00243-1	journal	April 2003
Extinction of premixed H2/air flames: Chemical kinetics and molecular diffusion effects Dong, Yufei; Holley, Adam T.; Andac, Mustafa G. Combustion and Flame, Vol. 142, Issue 4 https://doi.org/10.1016/j.combustflame.2005.03.017	journal	September 2005
Extinction of premixed flames of practical liquid fuels: Experiments and simulations Holley, A.; Dong, Y.; Andac, M. Combustion and Flame, Vol. 144, Issue 3 https://doi.org/10.1016/j.combustflame.2005.08.001	journal	February 2006
Measurements of laminar burning velocities for natural gas–hydrogen–air mixtures Huang, Z.; Zhang, Y.; Zeng, K. Combustion and Flame, Vol. 146, Issue 1-2 https://doi.org/10.1016/j.combustflame.2006.03.003	journal	July 2006
Laminar flame speeds of H2/CO mixtures: Effect of CO2 dilution, preheat temperature, and pressure Natarajan, J.; Lieuwen, T.; Seitzman, J. Combustion and Flame, Vol. 151, Issue 1-2 https://doi.org/10.1016/j.combustflame.2007.05.003	journal	October 2007
Remaining uncertainties in the kinetic mechanism of hydrogen combustion Konnov, Alexander A. Combustion and Flame, Vol. 152, Issue 4 https://doi.org/10.1016/j.combustflame.2007.10.024	journal	March 2008
Propagation and extinction of premixed C5–C12 n-alkane flames Ji, Chunsheng; Dames, Enoch; Wang, Yang L. Combustion and Flame, Vol. 157, Issue 2 https://doi.org/10.1016/j.combustflame.2009.06.011	journal	February 2010
Negative pressure dependence of mass burning rates of H2/CO/O2/diluent flames at low flame temperatures Burke, Michael P.; Chaos, Marcos; Dryer, Frederick L. Combustion and Flame, Vol. 157, Issue 4 https://doi.org/10.1016/j.combustflame.2009.08.009	journal	April 2010
Laminar flame speeds of moist syngas mixtures Das, Apurba K.; Kumar, Kamal; Sung, Chih-Jen Combustion and Flame, Vol. 158, Issue 2 https://doi.org/10.1016/j.combustflame.2010.09.004	journal	February 2011
Studies of n-propanol, iso-propanol, and propane flames Veloo, Peter S.; Egolfopoulos, Fokion N. Combustion and Flame, Vol. 158, Issue 3 https://doi.org/10.1016/j.combustflame.2010.10.001	journal	March 2011
An improved H2/O2 mechanism based on recent shock tube/laser absorption measurements Hong, Zekai; Davidson, David F.; Hanson, Ronald K. Combustion and Flame, Vol. 158, Issue 4 https://doi.org/10.1016/j.combustflame.2010.10.002	journal	April 2011
Adiabatic burning velocity and cellular flame characteristics of H2–CO–CO2–air mixtures Ratna Kishore, V.; Ravi, M. R.; Ray, Anjan Combustion and Flame, Vol. 158, Issue 11 https://doi.org/10.1016/j.combustflame.2011.03.018	journal	November 2011
Effects of dilution with carbon dioxide on the laminar burning velocity and flame stability of H2–CO mixtures at atmospheric condition Prathap, C.; Ray, Anjan; Ravi, M. R. Combustion and Flame, Vol. 159, Issue 2 https://doi.org/10.1016/j.combustflame.2011.08.006	journal	February 2012
Propagation and extinction of benzene and alkylated benzene flames Ji, Chunsheng; Dames, Enoch; Wang, Hai Combustion and Flame, Vol. 159, Issue 3 https://doi.org/10.1016/j.combustflame.2011.10.017	journal	March 2012
Effects of fuel branching on the propagation of octane isomers flames Ji, Chunsheng; Sarathy, S. Mani; Veloo, Peter S. Combustion and Flame, Vol. 159, Issue 4 https://doi.org/10.1016/j.combustflame.2011.12.004	journal	April 2012
A 5-step reduced mechanism for combustion of CO/H2/H2O/CH4/CO2 mixtures with low hydrogen/methane and high H2O content Nikolaou, Zacharias Marinou; Chen, Jyh-Yuan; Swaminathan, Nedunchezhian Combustion and Flame, Vol. 160, Issue 1 https://doi.org/10.1016/j.combustflame.2012.09.010	journal	January 2013
An experimental and kinetic study of syngas/air combustion at elevated temperatures and the effect of water addition Singh, Deepti; Nishiie, Takayuki; Tanvir, Saad Fuel, Vol. 94 https://doi.org/10.1016/j.fuel.2011.11.058	journal	April 2012
Laminar burning velocities and combustion characteristics of propane–hydrogen–air premixed flames Tang, Chenglong; Huang, Zuohua; Jin, Chun International Journal of Hydrogen Energy, Vol. 33, Issue 18 https://doi.org/10.1016/j.ijhydene.2008.06.063	journal	September 2008
Experimental and numerical study on laminar burning characteristics of premixed methane–hydrogen–air flames Hu, Erjiang; Huang, Zuohua; He, Jiajia International Journal of Hydrogen Energy, Vol. 34, Issue 11 https://doi.org/10.1016/j.ijhydene.2009.03.058	journal	June 2009
The influence of water on extinction and ignition of hydrogen and methane flames Seiser, R.; Seshadri, K. Proceedings of the Combustion Institute, Vol. 30, Issue 1 https://doi.org/10.1016/j.proci.2004.08.220	journal	January 2005
An optimized kinetic model of H2/CO combustion Davis, Scott G.; Joshi, Ameya V.; Wang, Hai Proceedings of the Combustion Institute, Vol. 30, Issue 1 https://doi.org/10.1016/j.proci.2004.08.252	journal	January 2005
The effects of water addition on pollutant formation from LPP gas turbine combustors de Jager, B.; Kok, J. B. W.; Skevis, G. Proceedings of the Combustion Institute, Vol. 31, Issue 2 https://doi.org/10.1016/j.proci.2006.07.147	journal	January 2007
Combustion of CO/H2 mixtures at elevated pressures Sivaramakrishnan, R.; Comandini, A.; Tranter, R. S. Proceedings of the Combustion Institute, Vol. 31, Issue 1 https://doi.org/10.1016/j.proci.2006.08.057	journal	January 2007
Propagation and extinction of premixed dimethyl-ether/air flames Wang, Y. L.; Holley, A. T.; Ji, C. Proceedings of the Combustion Institute, Vol. 32, Issue 1 https://doi.org/10.1016/j.proci.2008.06.054	journal	January 2009
Flame propagation of mixtures of air with binary liquid fuel mixtures Ji, Chunsheng; Egolfopoulos, Fokion N. Proceedings of the Combustion Institute, Vol. 33, Issue 1 https://doi.org/10.1016/j.proci.2010.06.085	journal	January 2011
An experimental and modeling study of the propagation of cyclohexane and mono-alkylated cyclohexane flames Ji, Chunsheng; Dames, Enoch; Sirjean, Baptiste Proceedings of the Combustion Institute, Vol. 33, Issue 1 https://doi.org/10.1016/j.proci.2010.06.099	journal	January 2011
Combustion characteristics of alternative gaseous fuels Park, Okjoo; Veloo, Peter S.; Liu, Ning Proceedings of the Combustion Institute, Vol. 33, Issue 1 https://doi.org/10.1016/j.proci.2010.06.116	journal	January 2011
A quantitative explanation for the apparent anomalous temperature dependence of OH+HO2=H2O+O2 through multi-scale modeling Burke, Michael P.; Klippenstein, Stephen J.; Harding, Lawrence B. Proceedings of the Combustion Institute, Vol. 34, Issue 1 https://doi.org/10.1016/j.proci.2012.05.041	journal	January 2013
The effects of water dilution on hydrogen, syngas, and ethylene flames at elevated pressure Santner, Jeffrey; Dryer, Frederick L.; Ju, Yiguang Proceedings of the Combustion Institute, Vol. 34, Issue 1 https://doi.org/10.1016/j.proci.2012.06.065	journal	January 2013
On the rate constants of OH+HO2 and HO2+HO2: A comprehensive study of H2O2 thermal decomposition using multi-species laser absorption Hong, Zekai; Lam, King-Yiu; Sur, Ritobrata Proceedings of the Combustion Institute, Vol. 34, Issue 1 https://doi.org/10.1016/j.proci.2012.06.108	journal	January 2013
Effect of pressure on structure and extinction of near-limit hydrogen counterflow diffusion flames Niemann, U.; Seshadri, K.; Williams, F. A. Proceedings of the Combustion Institute, Vol. 34, Issue 1 https://doi.org/10.1016/j.proci.2012.06.145	journal	January 2013
Laminar Burning Velocities of Diluted Hydrogen−Oxygen−Nitrogen Mixtures Hermanns, R. T. E.; Konnov, A. A.; Bastiaans, R. J. M. Energy & Fuels, Vol. 21, Issue 4 https://doi.org/10.1021/ef060553g	journal	July 2007
High-pressure falloff curves and specific rate constants for the reactions atomic hydrogen + molecular oxygen .dblharw. perhydroxyl .dblharw. hydroxyl + atomic oxygen Cobos, C. J.; Hippler, H.; Troe, J. The Journal of Physical Chemistry, Vol. 89, Issue 2 https://doi.org/10.1021/j100248a033	journal	January 1985
Kinetics of the reaction hydroxyl + hydroperoxo .fwdarw. water + oxygen from 254 to 382 K Keyser, Leon F. The Journal of Physical Chemistry, Vol. 92, Issue 5 https://doi.org/10.1021/j100316a037	journal	March 1988
Rate Constants For H + O ₂ + M → HO ₂ + M in Seven Bath Gases Michael, J. V.; Su, M. -C.; Sutherland, J. W. The Journal of Physical Chemistry A, Vol. 106, Issue 21 https://doi.org/10.1021/jp020229w	journal	May 2002
Shock wave studies of the reactions HO+H ₂ O ₂ →H ₂ O+HO ₂ and HO+HO ₂ →H ₂ O+O ₂ between 930 and 1680 K Hippler, H.; Neunaber, H.; Troe, J. The Journal of Chemical Physics, Vol. 103, Issue 9 https://doi.org/10.1063/1.470235	journal	September 1995
Syngas Combustion Kinetics and Applications Chaos, Marcos; Dryer, Frederick L. Combustion Science and Technology, Vol. 180, Issue 6 https://doi.org/10.1080/00102200801963011	journal	May 2008
Thermal and Kinetic Impact of CO, CO ₂ , and H ₂ O on the Postoxidation of IC-Engine Exhaust Gases Anderlohr, Jorg M.; Pires da Cruz, Antonio; Bounaceur, Roda Combustion Science and Technology, Vol. 182, Issue 1 https://doi.org/10.1080/00102200903190844	journal	January 2010
On Stability of Premixed Flames In Stagnation - Point Flow Sivashinsky, Gregory I.; Law, Chung K.; Joulin, Guy Combustion Science and Technology, Vol. 28, Issue 3-4 https://doi.org/10.1080/00102208208952551	journal	June 1982
First-principle calculation for the high-temperature diffusion coefficients of small pairs: the H–Ar Case Middha, P.; Wang, H. Combustion Theory and Modelling, Vol. 9, Issue 2 https://doi.org/10.1080/13647830500098431	journal	May 2005
NO x emission control of lean methane-air combustion with addition of methane reforming products Ren, J. -Y.; Egolfopoulos, F. N.; Tsotsis, T. T. Combustion Science and Technology, Vol. 174, Issue 4 https://doi.org/10.1080/713713016	journal	April 2002
An Experimental and Modeling Study of Humid Air Premixed Flames Bhargava, Anuj; Colket, Med; Sowa, William Journal of Engineering for Gas Turbines and Power, Vol. 122, Issue 3 https://doi.org/10.1115/1.1286921	journal	May 2000
Lectures on Mathematical Combustion Buckmaster, J. D.; Ludford, G. S. S. CBMS-NSF Regional Conference Series in Applied Mathematics https://doi.org/10.1137/1.9781611970272	journal	January 1983
Chemkin-II: A Fortran chemical kinetics package for the analysis of gas-phase chemical kinetics Kee, R.; Rupley, F.; Miller, J. https://doi.org/10.2172/5681118	report	September 1989
Flame Studies of Conventional and Alternative Jet Fuels Ji, Chungsheng; Wang, Yang L.; Egolfopoulos, Fokion N. Journal of Propulsion and Power, Vol. 27, Issue 4 https://doi.org/10.2514/1.B34105	journal	July 2011

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Studies of premixed and non-premixed hydrogen flames

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