Taking the detail balance relations into account in the construction of approximations of kinetic equations

Computational Mathematics and Modeling - Tập 10 - Trang 78-91 - 1999
G. G. Elenin, T. M. Lysak

Tóm tắt

We propose an approach to the construction of approximations of kinetic equations of a lattice gas in the context of cluster approaches, taking account of the detail balance relations. This approach is applied to construct approximations for a one-component lattice gas on a homogeneous one-dimensional lattice, in which it is shown that in the absence of migration the additional requirement of unique solutions of the approximate equations leads to the well-known Kirkwood approximations in the context of the quasi-chemical approximations. We give the equations for a one-component lattice gas on a homogeneous rectangular lattice, describing a family of approximations satisfying these requirements and conditions on the additional relations needed to close the system. Bibliography: 5 titles.

Tài liệu tham khảo

V. P. Zhdanov,Elementary Physico-Chemical Processes on a Surface [in Russian], Nauka, Novosibirsk (1988). Yu. K. Tovbin,Theory of Physico-Chemical Processes at a Gas-Solid Interface [in Russian], Nauka, Moscow (1990). A. Wierzbicki and H. J. Kreuzer, “Kinetic lattice gas model: a systematic closure approximation,”Surf. Sci.,257, 417–426 (1991). H. J. Kreuzer,Thermal Desorption Kinetics, Langmuir (1992). G. Eiring, S. G. Lin, and S. M. Lin,Foundations of Chemical Kinetics [Russian translation], Mir, Moscow (1983).