HAL CCSD
An internal state kinetic model for chemically reacting mixtures of monatomic and polyatomic gases
Bisi, Marzia
Borsoni, Thomas
Groppi, Maria
Università degli studi di Parma = University of Parma (UNIPR)
Laboratoire Jacques-Louis Lions (LJLL (UMR_7598)) ; Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité)
hal-03908353
https://cnrs.hal.science/hal-03908353
https://cnrs.hal.science/hal-03908353/document
https://cnrs.hal.science/hal-03908353/file/Bisi_Borsoni_Groppi.pdf
https://cnrs.hal.science/hal-03908353
2022
en
kinetic theory
gas mixtures
polyatomic gases
chemical reactions
internal energy
[MATH.MATH-MP]Mathematics [math]/Mathematical Physics [math-ph]
[MATH.MATH-AP]Mathematics [math]/Analysis of PDEs [math.AP]
info:eu-repo/semantics/preprint
Preprints, Working Papers, ...
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.
2022-12-20
info:eu-repo/semantics/OpenAccess