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

  • Heat and Mass Transfer and Physical Gasdynamics
  • Published:
High Temperature Aims and scope

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 CH4 → CH3 + 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 × 10−6 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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  1. Instituto de Plasmas de Fusao Nuclear, Laboratorio Associado, Instituto Superior Tecnico, Av. Rovisco Pais, 1049-001, Lisboa, Portugal

    D. L. Tsyganov

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  1. D. L. Tsyganov
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Correspondence to D. L. Tsyganov.

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Original Russian Text © D.L. Tsyganov, 2013, published in Teplofizika Vysokikh Temperatur, 2013, Vol. 51, No. 1, pp. 97–104.

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Tsyganov, D.L. Approximation of experimental constants of chemical reaction rates in a wide temperature range. High Temp 51, 90–96 (2013). https://doi.org/10.1134/S0018151X13010203

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