Adsorción con múltiple ocupación de sitios sobre superficies heterogéneas: teoría y simulación de Monte Carlo

RAMIREZ PASTOR A. J,

REVISTA INFORMACION TECNOLOGICA DEL CHILE

Centro de Informacion Tecnologica

Año: 2002 vol. 13 p. 179 - 183

0716-8756

In this work, a theoretical model for multisite-occupancy adsorption on heterogeneous surfaces is proposed, by introducing the rigorous expression for the Helmholtz free energy of linear adsorbates on a homogeneous one-dimensional lattice into the model presented by Nitta et al. (1991). Comparisons between the theoretical predictions and the results of Monte Carlo simulations for the adsorption isotherms of 2-mers, 4-mers and 6-mers on heterogeneous substrates with two types of sites are carried out. Experimental data for CO, N2 and O2 adsorbed on zeolites 5A and 10X are fitted and discussed, in the framework of the theoretical model presented in this contribution.