Comparison between different adsorption-desorption kinetics schemes in two dimensional lattice gas

作者：Huespe V J; Belardinelli R E; Pereyra V D; Manzi S J^*

来源：Physica A: Statistical Mechanics and Its Applications , 2017, 488: 162-176.

DOI：10.1016/j.physa.2017.06.028

• Dynamic schemes
• Sticking coefficient
• Programmed thermal desorption spectra
• Monte Carlo simulation

Monte Carlo simulation is used to study the adsorption-desorption kinetics in the framework of the kinetic lattice-gas model. Three schemes of the so-called hard dynamics and five schemes of the so called soft dynamics were used for this purpose. It is observed that for the hard dynamic schemes, the equilibrium and non-equilibrium observable, such as adsorption isotherms, sticking coefficients, and thermal desorption spectra, have a normal or physical sustainable behavior. While for the soft dynamics schemes, with the exception of the transition state theory, the equilibrium and non-equilibrium observables have several problems.

• 出版日期2017-12-15