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

HUESPE, V.J.; BELARDINELLI, R.E.; PEREYRA, V.D.; MANZI, S.J.

PHYSICA A - STATISTICAL AND THEORETICAL PHYSICS

ELSEVIER SCIENCE BV

Año: 2017 vol. 488 p. 162 - 176

0378-4371

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.