Multicomponent adsorption on triangular heterogeneous lattices

RINALDI P.; BULNES F.; RAMIREZ PASTOR A.J.; RICCARDO J.L.; ZGRABLICH, G.

Zakopane

Simposio; ISSHAC-6 International Symposium on Effects of Surface Heterogeneity in Adsorption and Catalysis; 2006

MARIE CURIE-SKLODOWSKA UNIVERSITY-LUBLIN-POLAND

The adsorption process of interacting binary gas mixtures on strong correlated heterogeneous substrates is studied through Grand Canonical Monte Carlo simulation in the framework of the lattice-gas model. The bivariate adsorptive topography is characterized by patches of weak and strong adsorbing sites, arranged in a deterministic chessboard-like structure with triangular geometry. The process is monitored through partial and total isotherms, differential heats of adsorption and energy of the system, which appear as very sensitive to both lateral interactions and energetic disorder. A rich variety of behaviors is found depending on the values of the energy interactions wAA, wAB and wBB, and the heterogeneity parameter E. The results evidence a nontrivial interdependence between the partial surface coverage of both species, which makes the model to be very interesting.