期刊
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
卷 565, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.physa.2020.125573
关键词
Kinetic theory; Gas-surface interaction; Surface reactions; Chapman-Enskog; Fluid boundary conditions
A kinetic theory describing chemical reactions on crystal surfaces is introduced, involving physisorbed-gas particles and chemisorbed particles interacting with fixed potentials and colliding with phonons. The equations for physisorbed-gas and chemisorbed species are coupled with those describing crystal atoms on the surface. Fluid boundary conditions are derived using a fluid scaling and Chapman-Enskog method, involving complex surface chemistry and multicomponent diffusion.
A kinetic theory describing chemical reactions on crystal surfaces is introduced. Kinetic equations are used to model physisorbed-gas particles and chemisorbed particles interacting with fixed potentials and colliding with phonons. The phonons are assumed to be at equilibrium and the physisorbed-gas and chemisorbed species equations are coupled to similar kinetic equations describing crystal atoms on the surface. An arbitrary number of gaseous species, surface species and heterogeneous chemical reactions are considered and the species may be polyatomic. A kinetic entropy is introduced for the coupled system and the H theorem is established. Using a fluid scaling and a Chapman-Enskog method, fluid boundary conditions are derived from the kinetic model and involve complex surface chemistry as well as surface tangential multicomponent diffusion. (C) 2020 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据