A kinetic model of reactive crystal surfaces A Kinetic Model of Reactive Crystal Surfaces - Archive ouverte HAL
Article Dans Une Revue AIP Conference Proceedings Année : 2019

A kinetic model of reactive crystal surfaces A Kinetic Model of Reactive Crystal Surfaces

Résumé

A kinetic model describing chemical reactions on a crystal surface is introduced. The Boltzmann equations involve particles interacting with potentials generated by fixed crystal particles and interacting with a phonon gas describing the fluctuating part of the potentials. Chemical reactions between gas/physisorbed, chemisorbed and crystal species are taken into account. The phonons are assumed to be at equilibrium for the sake of simplicity. A modified kinetic entropy is introduced for the coupled system and the H theorem is established. Using a fluid scaling and the Chapman-Enskog asymptotic method, species fluid boundary conditions involving heterogeneous reactions are recovered at the surface.
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Dates et versions

hal-02333178 , version 1 (25-10-2019)

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Kazuo Aoki, Vincent Giovangigli. A kinetic model of reactive crystal surfaces A Kinetic Model of Reactive Crystal Surfaces. AIP Conference Proceedings, 2019, 2132, ⟨10.1063/1.5119623⟩. ⟨hal-02333178⟩
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