Spherically expanding flame in silane–hydrogen–nitrous oxide–argon mixtures

Mével, Rémy; Chatelain, Karl P.; Lapointe, Simon; Lacoste, Deanna A.; Idir, Mahmoud; Dupré, Gabrielle; Chaumeix, Nabiha

doi:10.1016/j.combustflame.2020.07.032

Spherically expanding flame in silane–hydrogen–nitrous oxide–argon mixtures

Journal Article · Sun Nov 01 00:00:00 EDT 2020 · Combustion and Flame

DOI:https://doi.org/10.1016/j.combustflame.2020.07.032· OSTI ID:1736340

Mével, Rémy ^[1]; ^[2]; Lapointe, Simon ^[3]; Lacoste, Deanna A. ^[2]; Idir, Mahmoud ^[4]; Dupré, Gabrielle ^[5]; Chaumeix, Nabiha ^[4]

Tsinghua Univ., Beijing (China)
King Abdullah Univ. of Science and Technology (KAUST), Thuwal (Saudi Arabia)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Centre National de la Recherche Scientifique (CNRS), Orléans (France)
Univ. d’Orléans (France)

The effect of silane addition on the laminar flame speed ($$S^0_u$$) of flames propagating in hydrogen–nitrous oxide–argon mixtures has been investigated experimentally for the first time using the spherically expanding flame technique in a constant volume combustion chamber. Replacing hydrogen by silane and maintaining the equivalence ratio constant, much higher flame speeds, explosion peak pressures, and pressure rise coefficients were measured. A previously developed detailed reaction model has been updated based on ab initio thermodynamic properties calculations and collision limit violation analysis. The improved reaction model demonstrates encouraging performance in predicting the flame speed, with a mean absolute error below 11%. To explain the effect of silane addition on the flame dynamics, a number of parameters have been calculated including OH and H rate of production, heat release rate per reaction, and sensitivity coefficient on . The dynamics of freely propagating flames in SiH₄–H₂–N₂O–Ar mixtures is essentially controlled by reactions of the H–O–N chemical system: N₂O+H=N₂+OH, OH+H₂=H₂O+H, and N₂O(+M)=N₂+O(+M). Whereas silane addition does not influence much the rate of production of OH, it significantly modifies that of H with a number of pyrolytic chemical pathways of silicon hydrides, such as SiH+H₂=SiH₂+H and Si+H₂=SiH+H, which act as sink of H atom as they proceed in the backward direction. The reactions forming SiO(s) and SiO₂(s), such as SiO+OH=SiO₂(s)+H and 2SiO=2SiO(s), are exothermic and significantly contribute to the temperature increase. The adiabatic, constant pressure flame temperature for mixture containing silane is significantly higher, up to several 100’s K. The increase of induced by silane addition seems to be mostly related to the large increase of the flame temperature which leads to higher energy release rate.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE; USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1736340

Alternate ID(s):: OSTI ID: 1647130

Report Number(s):: LLNL--JRNL-793421; 993494

Journal Information:: Combustion and Flame, Journal Name: Combustion and Flame Journal Issue: na Vol. 221; ISSN 0010-2180

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (35)

Stoichiometry and possible mechanism of SiH4O2 explosions Hartman, J. R.; Famil-Ghiriha, J.; Ring, M. A. Combustion and Flame, Vol. 68, Issue 1 https://doi.org/10.1016/0010-2180(87)90064-2	journal	April 1987
Comparison of the performance of several recent hydrogen combustion mechanisms Olm, Carsten; Zsély, István Gy.; Pálvölgyi, Róbert Combustion and Flame, Vol. 161, Issue 9 https://doi.org/10.1016/j.combustflame.2014.03.006	journal	September 2014
Hydrogen–nitrous oxide delay times: Shock tube experimental study and kinetic modelling Mével, R.; Javoy, S.; Lafosse, F. Proceedings of the Combustion Institute, Vol. 32, Issue 1 https://doi.org/10.1016/j.proci.2008.06.171	journal	January 2009
Characterization of Spark- and Laser-Ignition of Bio- and Natural Gas Peters, Nathan D.; Akih-Kumgeh, Ben Volume 3: Coal, Biomass and Alternative Fuels; Cycle Innovations; Electric Power; Industrial and Cogeneration Applications; Organic Rankine Cycle Power Systems https://doi.org/10.1115/gt2017-64902	conference	June 2017
Field tests of release, ignition, and explosion from silane cylinder valve and gas cabinet Ngai, Eugene Y.; Huang, Kelvin Pai-Ping; Chen, Jenq-Renn Process Safety Progress, Vol. 26, Issue 4 https://doi.org/10.1002/prs.10206	journal	January 2007
Reactivity and ignition characteristics of silane/air mixtures Tamanini, Francesco; Chaffee, Jeffrey L.; Jambor, Richard L. Process Safety Progress, Vol. 17, Issue 4 https://doi.org/10.1002/prs.680170405	journal	January 1998
Absolute rate constant and temperature dependence for the reaction of silylene with nitrous oxide Becerra, R.; Frey, H. M.; Mason, B. P. Chemical Physics Letters, Vol. 185, Issue 5-6 https://doi.org/10.1016/0009-2614(91)80234-O	journal	October 1991
Premixed silaneoxygennitrogen flames Tokuhashi, Kazuaki; Horiguchi, Sadashige; Urano, Youkichi Combustion and Flame, Vol. 82, Issue 1 https://doi.org/10.1016/0010-2180(90)90076-4	journal	October 1990
Numerical study of low- and high-temperature silane combustion Babushok, V. I.; Tsang, W.; Burgess, D. R. Symposium (International) on Combustion, Vol. 27, Issue 2 https://doi.org/10.1016/S0082-0784(98)80095-7	journal	January 1998
Demonstration of temperature and OH mole fraction diagnostic in SiH4/H2/O2/Ar flames using narrow-line UV OH absorption spectroscopy Donovan, M. T.; Hall, D. L.; Torek, P. V. Proceedings of the Combustion Institute, Vol. 29, Issue 2 https://doi.org/10.1016/S1540-7489(02)80321-2	journal	January 2002
Computational modeling of the SiH3+O2 reaction and silane combustion Miller, T. A.; Wooldridge, M. S.; Bozzelli, J. W. Combustion and Flame, Vol. 137, Issue 1-2 https://doi.org/10.1016/j.combustflame.2003.12.012	journal	April 2004
On the extraction of laminar flame speed and Markstein length from outwardly propagating spherical flames Chen, Zheng Combustion and Flame, Vol. 158, Issue 2 https://doi.org/10.1016/j.combustflame.2010.09.001	journal	February 2011
Radiation-induced uncertainty in laminar flame speed measured from propagating spherical flames Yu, Hao; Han, Wang; Santner, Jeffrey Combustion and Flame, Vol. 161, Issue 11 https://doi.org/10.1016/j.combustflame.2014.05.012	journal	November 2014
On the accuracy of laminar flame speeds measured from outwardly propagating spherical flames: Methane/air at normal temperature and pressure Chen, Zheng Combustion and Flame, Vol. 162, Issue 6 https://doi.org/10.1016/j.combustflame.2015.02.012	journal	June 2015
Laminar flame speeds of pentanol isomers: An experimental and modeling study Nativel, D.; Pelucchi, M.; Frassoldati, A. Combustion and Flame, Vol. 166 https://doi.org/10.1016/j.combustflame.2015.11.012	journal	April 2016
Sparse, iterative simulation methods for one-dimensional laminar flames Lapointe, Simon; Whitesides, Russell A.; McNenly, Matthew J. Combustion and Flame, Vol. 204 https://doi.org/10.1016/j.combustflame.2019.02.030	journal	June 2019
Correction of reaction models using collision limit violation analyses: Application to a silane reaction model Chatelain, Karl P.; Mével, Rémy; Lacoste, Deanna A. Combustion and Flame, Vol. 217 https://doi.org/10.1016/j.combustflame.2020.03.028	journal	July 2020
Oxygen atom kinetics in silane–hydrogen–nitrous oxide mixtures behind reflected shock waves Javoy, S.; Mével, R.; Dupré, G. Chemical Physics Letters, Vol. 500, Issue 4-6 https://doi.org/10.1016/j.cplett.2010.10.020	journal	November 2010
Spherical expanding flames in H2–N2O–Ar mixtures: flame speed measurements and kinetic modeling Mével, R.; Lafosse, F.; Chaumeix, N. International Journal of Hydrogen Energy, Vol. 34, Issue 21 https://doi.org/10.1016/j.ijhydene.2009.08.054	journal	November 2009
Flame burning speeds and combustion characteristics of undiluted and nitrogen-diluted hydrogen–nitrous oxide mixtures Bane, S. P. M.; Mével, R.; Coronel, S. A. International Journal of Hydrogen Energy, Vol. 36, Issue 16 https://doi.org/10.1016/j.ijhydene.2011.04.232	journal	August 2011
On the effective Lewis number formulations for lean hydrogen/hydrocarbon/air mixtures Bouvet, Nicolas; Halter, Fabien; Chauveau, Christian International Journal of Hydrogen Energy, Vol. 38, Issue 14 https://doi.org/10.1016/j.ijhydene.2013.02.098	journal	May 2013
Accidental explosions of semiconductor manufacturing gases in Japan Hirano, Toshisuke Journal of Loss Prevention in the Process Industries, Vol. 17, Issue 1 https://doi.org/10.1016/j.jlp.2003.09.001	journal	January 2004
CGA G-13 large-scale silane release tests – Part I. Silane jet flame impingement tests and thermal radiation measurement Ngai, Eugene Y.; Fuhrhop, Ron; Chen, Jenq-Renn Journal of Loss Prevention in the Process Industries, Vol. 36 https://doi.org/10.1016/j.jlp.2014.12.010	journal	July 2015
Unconfined silane-air explosions Tsai, Hsiao-Yun; Lin, Yu-Jhen; Chang, Yan-Cheng Journal of Loss Prevention in the Process Industries, Vol. 49 https://doi.org/10.1016/j.jlp.2017.01.013	journal	September 2017
Effect of silane addition on acetylene ignition behind reflected shock waves Rickard, M. J. A.; Hall, J. M.; Petersen, E. L. Proceedings of the Combustion Institute, Vol. 30, Issue 2 https://doi.org/10.1016/j.proci.2004.08.035	journal	January 2005
A chemical kinetic study of the oxidation of silane by nitrous oxide, nitric oxide and oxygen Mével, R.; Javoy, S.; Dupré, G. Proceedings of the Combustion Institute, Vol. 33, Issue 1 https://doi.org/10.1016/j.proci.2010.05.076	journal	January 2011
Determination of burning velocities from spherically expanding H 2 /air flames Varea, Emilien; Beeckmann, Joachim; Pitsch, Heinz Proceedings of the Combustion Institute, Vol. 35, Issue 1 https://doi.org/10.1016/j.proci.2014.05.137	journal	January 2015
Experimental and numerical study on the ignition of fuel/air mixtures at laser heated silicon nitride particles Roth, David; Häber, Thomas; Bockhorn, Henning Proceedings of the Combustion Institute, Vol. 36, Issue 1 https://doi.org/10.1016/j.proci.2016.05.054	journal	January 2017
A study of flame acceleration and the possibility of detonation with silane mixtures Thomas, Geraint O.; Bambrey, Richard J.; Oakley, Gwyn L. Process Safety and Environmental Protection, Vol. 117 https://doi.org/10.1016/j.psep.2018.05.003	journal	July 2018
High-Temperature Kinetics of Si + N2O Mick, Hans Juergen; Roth, Paul The Journal of Physical Chemistry, Vol. 98, Issue 20 https://doi.org/10.1021/j100071a022	journal	May 1994
High-temperature kinetics of silicon atom oxidation by nitric oxide based on silicon, nitrogen, and oxygen atom measurements Mick, H. J.; Matsui, H.; Roth, P. The Journal of Physical Chemistry, Vol. 97, Issue 26 https://doi.org/10.1021/j100128a016	journal	July 1993
A Numerical Study of Low Temperature Silane Combustion Kondo, Shigeo; Tokuhashi, Kazuaki; Takahashi, Akifumi Combustion Science and Technology, Vol. 159, Issue 1 https://doi.org/10.1080/00102200008935792	journal	October 2000
Modeling particle formation during low-pressure silane oxidation: Detailed chemical kinetics and aerosol dynamics Suh, S. -M.; Zachariah, M. R.; Girshick, S. L. Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 19, Issue 3 https://doi.org/10.1116/1.1355757	journal	May 2001
Reflected Shock Ignition of SiH4/H2/O2/Ar andSiH4/CH4/O2/Ar Mixtures Petersen, Eric L.; Kalitan, Danielle M.; Rickard, Matthew J. A. Journal of Propulsion and Power, Vol. 20, Issue 4 https://doi.org/10.2514/1.11380	journal	July 2004
Ignition and Oxidation of Ethylene-Oxygen-Diluent Mixtures with and Without Silane Kalitan, Danielle M.; Hall, Joel M.; Petersen, Eric L. Journal of Propulsion and Power, Vol. 21, Issue 6 https://doi.org/10.2514/1.8026	journal	November 2005

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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