Abstract
Heat transfer between the surface of a heated wire and ambient gas within the framework of the two-step mechanism of heterogeneous dissociation of hydrogen is studied by the Direct Simulation Monte Carlo method. This mechanism includes four heterogeneous reactions and takes into account the occupancy of activation sites on the surface. Based on the heat balance analysis performed, a dissociation rate constant is proposed, which yields the values of the power spent on gas heating and heterogeneous reactions that coincide with experimental data. The influence of the dissociation rate constant on the occupancy of surface sites and also on the probabilities of dissociation, recombination, and adsorption due to particle-surface collisions is analyzed.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
C.B. Lukas, Atomic and Molecular Beams: Production and Collimation, CRC Press, Boca Raton, 2014.
P.W. May, Diamond thin films: a 21st-century material, Philos. Trans. Roy. Soc. London, Ser. A, 2000, Vol. 358, P. 473–495.
A.K. Rebrov, Possibilities of gas phase synthesis of diamond structures from mixtures of hydrogen and hydrocarbons, Phys. Usp., 2017, Vol. 60, P. 179–186.
I. Langmuir and G.M.J. Mackay, The dissociation of hydrogen into atoms. P. I. Experimental, J. Am. Chem. Soc., 1914, Vol. 36, P. 1708–1722.
G.A. Bird, Molecular Gas Dynamics and the Direct Simulation of Gas Flows, Clarendon Press, Oxford, 1994.
A.A. Morozov, M.Yu. Plotnikov, A.K. Rebrov, and I.B. Yudin, DSMC study of hydrogen and methane flows in a hot tube, in: Proc. 30th Inter. symp. on rarefied gas dynamics, Victoria (Canada), July 10–15, 2016, AIP Conf. Proc., New York, 2016, Vol. 1786, No. 050015-1–050015-8.
A.A. Morozov, T.T. B’yadovskiy, K.V. Kubrak, M.Yu. Plotnikov, and I.B. Yudin, Thermal model-based determination of dissociation degree of hydrogen flowing in a hot tube, Interfacial Phenomena and Heat Transfer, 2019, Vol. 7, No. 2, P. 139–149.
A.K. Rebrov and I.B. Yudin, Heterogeneous physical and chemical processes in a rarefied-gas flow in a channel, Dokl. Phys., 2016, Vol. 61, No. 5, P. 223–226.
J.N. Smith (Jr.) and W.L. Fite, Reflection and dissociation of H2 on tungsten, J. Chem. Phys., 1962, Vol. 37, No. 4, P. 898–904.
M. Rutigliano and M. Cacciatore, H atom recombination on W(001): a semiclassical molecular dynamics study, in: Proc. 27th Inter. Symp. Rarefied Gas Dynamics, California (USA), July 10–15 2010, AIP Conf. Proc., New York, 2011, Vol. 1333, P. 464–468.
M.Yu. Plotnikov and E.V. Shkarupa, Heterogeneous activation of rarefied hydrogen in thin tubes, Vacuum, 2016, Vol. 129, P. 31–37.
H. Koschmieder and V. Raible, Intense atomic-hydrogen beam source, Rev. Sci. Instr., 1975, Vol. 46, P. 536–537.
M.Yu. Plotnikov, Hydrogen dissociation in rarefied gas flow through a wire obstacle, J. Appl. Mech. Tech. Phys., 2018, Vol. 59, No. 5, P. 794–800.
A. Rebrov, M. Plotnikov, Yu. Mankelevich, and I. Yudin, Analysis of flows by deposition of diamond-like structures, Phys. Fluids, 2018, Vol. 30, P. 16106-1–16106-11.
D.W. Comerford, J.A. Smith, M.N.R. Ashfold, and Yu.A. Mankelevich, On the mechanism of H atom production in hot filament activated H2 and CH4/H2 gas mixtures, J. Chem. Phys., 2009, Vol. 131, P. 044326-1–044326-12.
Yu.A. Mankelevich, M.N.R. Ashfold, and H. Umemoto, Molecular dissociation and vibrational excitation on a metal hot filament surface, J. Phys. D: Appl. Phys., 2014, Vol. 47, P. 025503-1–025503-12.
Yu.A. Mankelevich, Plasma- and thermal-simulated deposition of diamond films: multidimensional models of chemical reactors, Doctor’s dissertation, Moscow, 2013.
M.Yu. Plotnikov and E.V. Shkarupa, Direct simulation Monte-Carlo modeling of the dissociation of hydrogen on the wire surface in a resting gas, J. Phys. Conf. Ser., 2019, Vol. 382, P. 012166-1–012166-6.
I. Choquet, A new approach to model and simulate numerically surface chemistry in rarefied flows, Phys. Fluids, 1999, Vol. 11, P. 1650–1661.
A.N. Molchanova, A.V. Kashkovsky, and Ye.A. Bondar, Surface recombination in the direct simulation Monte-Carlo method, Phys. Fluids, 2018, Vol. 30, P. 107105-1–107105-17.
M.Yu. Plotnikov and E.V. Shkarupa, DSMC simulation of two-step dissociation-recombination of hydrogen on tantalum surface, Comput. Fluids, 2021, Vol. 214, P. 104778-1–104778-11.
B. Stefanov and L. Zarkova, Molecular and reactive thermal-conductivities and accommodation coefficients of dissociating hydrogen up to 2400K, J. Phys. D: Appl. Phys., 1976, Vol. 9, P. 217–1226.
F.O. Goodman and H.Y. Wachman, Formula for thermal accommodation coefficients, J. Chem. Phys., 1967, Vol. 46, No. 6, P. 2376–2386.
Author information
Authors and Affiliations
Corresponding authors
Additional information
The study was performed within the framework of the State Contracts of the Kutateladze Institute of Thermophysics SB RAS (No. 121031800218-5) and the Institute of Computational Mathematics and Mathematical Geophysics SB RAS (No. 0251-2021-0002).
Rights and permissions
About this article
Cite this article
Plotnikov, M.Y., Shkarupa, E.V. Application of the heat balance for estimating the hydrogen dissociation rate constant on the tantalum surface. Thermophys. Aeromech. 28, 555–562 (2021). https://doi.org/10.1134/S0869864321040090
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S0869864321040090