Adsorption of interacting binary mixtures on heterogeneous surfaces: theory, Monte Carlo simulations and experimental results

SANCHEZ VARRETTI F. O.; RAMIREZ-PASTOR A. J.; BULNES F. M.

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

SPRINGER

Lugar: ; Año: 2019 vol. 25 p. 1317 - 1328

0929-5607

The development of a method for the prediction of the amounts adsorbed on a surface is of interest due to its application in various areas such as the recovery of gases and the transport thereof in porous beds. Various scientific contributions have been carried out on the adsorption under equilibrium conditions of gas mixtures. In the present work, a theoretical cluster approximation (CA) is analyzed against the experimental and simulation behavior of the adsorbed phase of a binary mixture of gases. The substrate is modeled as an heterogeneous surface and a combination of repulsive lateral interactions between adsorbed particles of the same species is considered. Under these conditions, a rich variety of structural orderings were observed in the adlayer. CA results were compared with Monte Carlo simulations, showing a very well agreement over the range of parameters investigated. Finally, the theoretical formalism was used to model experimental data of CO?O2 mixtures on a template-synthesized 5A zeolite. The study presented here has shown that CA model is a good one considering the complexity of the physical situation, which is intended to be described, and could be more useful in interpreting experimental data of adsorption of interacting binary mixtures on heterogeneous surfaces.