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An internal state kinetic model for chemically reacting mixtures of monatomic and polyatomic gases

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Abstract

We propose a general kinetic framework for the description of a mixture of nonrelativistic mono-or polyatomic gases undergoing any number of bi-molecular reactions. The description of the internal structure of the molecules is kept general, in order to model it according to the physical properties of the considered species. The possibility of keeping separate rotational and vibrational energies of polyatomic particles is thus included in the present framework. Moreover, activation energy for chemical reactions is taken into account, allowing to accurately describe the kinetics of the chemical process. We prove the validity of the H-Theorem, we recover the expected Maxwellian equilibrium distributions joint with the mass-action laws of chemical reactions, and we obtain an explicit formula for the rate constant of a given chemical reaction. The system of Euler equations in the case of moderately slow chemical reactions is also derived.
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Dates and versions

hal-03908353 , version 1 (20-12-2022)

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  • HAL Id : hal-03908353 , version 1

Cite

Marzia Bisi, Thomas Borsoni, Maria Groppi. An internal state kinetic model for chemically reacting mixtures of monatomic and polyatomic gases. 2022. ⟨hal-03908353⟩
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