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 TVT, 2013, Volume 51, Issue 1, Pages 97–104 (Mi tvt61)

Heat and Mass Transfer and Physical Gasdynamics

Approximation of experimental constants of chemical reaction rates in a wide temperature range

D. L. Tsyganov

Instituto de Plasmas de Fusao Nuclear, Laboratorio Associado, Instituto Superior Tecnico, Av. Rovisco Pais, 1049–001, Lisboa, Portugal

Abstract: This article discusses possible methods of approximation of constants of chemical reaction rates onto a region of values that is beyond the limits of the experimental temperature range. In particular, this work studies direct approximation of constants of chemical reaction rates obtained upon processing of experimental values, approximation based on an analytical simulated dependence of the integral cross section of the process on energy, and approximation based on direct solution of the equation for constants of the chemical reaction rates at an arbitrary dependence of the process integral cross section on energy. The integral equation has been solved using the Tikhonov regularization. It is shown that this approach makes it possible to determine the threshold energy as well as to recover the form of the cross section. A second-order reaction $\mathrm{CH}_4\to\mathrm{CH}_3+\mathrm{H}$ has been considered, the activation energy of which is $44560$ K. Based on the calculation for the temperature range of $10000$$50000$ K, the following approximation can be recommended: $5.04\times10^{-6} T^{-1.5}\exp(-45377/T)$, $cm^{-3}/s$. The obtained data can be applied for various calculations, in particular, in problems of hypersound gas dynamics, as well as for filling databases.

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English version:
High Temperature, 2013, 51:1, 90–96

Bibliographic databases:

UDC: 544.42, 544.08

Citation: D. L. Tsyganov, “Approximation of experimental constants of chemical reaction rates in a wide temperature range”, TVT, 51:1 (2013), 97–104; High Temperature, 51:1 (2013), 90–96

Citation in format AMSBIB
\Bibitem{Tsy13} \by D.~L.~Tsyganov \paper Approximation of experimental constants of chemical reaction rates in a wide temperature range \jour TVT \yr 2013 \vol 51 \issue 1 \pages 97--104 \mathnet{http://mi.mathnet.ru/tvt61} \elib{http://elibrary.ru/item.asp?id=18446107} \transl \jour High Temperature \yr 2013 \vol 51 \issue 1 \pages 90--96 \crossref{https://doi.org/10.1134/S0018151X13010203} \isi{http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&DestLinkType=FullRecord&DestApp=ALL_WOS&KeyUT=000315044900013} \elib{http://elibrary.ru/item.asp?id=20553287} \scopus{http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-84874077797} 

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Citing articles on Google Scholar: Russian citations, English citations
Related articles on Google Scholar: Russian articles, English articles

This publication is cited in the following articles:
1. Tsyganov D., Bundaleska N., Tatarova E., Ferreira C.M., “Ethanol Reforming Into Hydrogen-Rich Gas Applying Microwave “Tornado”-Type Plasma”, Int. J. Hydrog. Energy, 38:34 (2013), 14512–14530
2. D. L. Tsyganov, “The Rate Constant of Diatomic Molecule Dissociation within the Shock Forced Oscillator Model (SFO Model)”, High Temperature, 52:4 (2014), 518–529
3. Bundaleska N., Tsyganov D., Tatarova E., Dias F.M., Ferreira C.M., “Steam Reforming of Ethanol Into Hydrogen-Rich Gas Using Microwave Ar/Water “Tornado” - Type Plasma”, Int. J. Hydrog. Energy, 39:11 (2014), 5663–5670
4. Tatarova E. Bundaleska N. Sarrette J.Ph. Ferreira C.M., “Plasmas For Environmental Issues: From Hydrogen Production To 2D Materials Assembly”, Plasma Sources Sci. Technol., 23:6 (2014), 063002
5. D. L. Tsyganov, “Rate constant of $VT/VV$ energy exchange in the collision di- or polyatomic molecules within the SFO model”, High Temperature, 54:1 (2016), 67–76
6. D. Tsyganov, N. Bundaleska, E. Tatarova, A. Dias, J. Henriques, A. Rego, A. Ferraria, M. V. Abrashev, F. M. Dias, C. C. Luhrs, J. Phillips, “On the plasma-based growth of ‘flowing’ graphene sheets at atmospheric pressure conditions”, Plasma Sources Sci. Technol., 25:1 (2016), 015013
7. D. Czylkowski, B. Hrycak, M. Jasinski, M. Dors, J. Mizeraczyk, “Hydrogen production by direct injection of ethanol microdroplets into nitrogen microwave plasma flame”, Int. J. Hydrog. Energy, 43:46 (2018), 21196–21208
8. N. Bundaleska, D. Tsyganov, A. Dias, E. Felizardo, J. Henriques, F. M. Dias, M. Abrashev, J. Kissovski, E. Tatarova, “Microwave plasma enabled synthesis of free standing carbon nanostructures at atmospheric pressure conditions”, Phys. Chem. Chem. Phys., 20:20 (2018), 13810–13824
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