In the present work, a generalized lattice-gas model to study multilayer adsorption of interacting polyatomic species on heterogeneous surfaces is introduced. Using an approximation in the spirit of the well-known Brunauer–Emmet–Teller (BET) model, a new theoretical isotherm is obtained in...

Adsorption thermodynamics of interacting particles adsorbed on one-dimensional channels arranged in a triangular cross-sectional structure is studied through Bragg–Williams approximation (BWA), Monte Carlo (MC) simulations and the recently reported Effective Substates approximation (ESA) [J.L....

Adsorption thermodynamics of a lattice–gas model with non-additive interactions between adsorbed particles for triangular and honeycomb lattices is discussed in the present study. The model used here assumes that the energy which links a certain atom with any of its nearest-neighbors strongly...

The configurational entropy per site of a lattice gas model with non-additive interactions between adsorbed particles for square, triangular and honeycomb lattices is discussed in the present study. The model used here assumes that the energy which links a certain atom with any of its...

In this paper, the percolation of mixtures of monomers and polyatomic species (k-mers) on a square lattice is studied. By means of a finite-size scaling analysis, the critical exponents and the scaling collapsing of the fraction of percolating lattices are found. A phase diagram separating a...

A simple model for amorphous solids, consisting of a mixed bond triangular lattice with a fraction of attenuated bonds randomly distributed (which simulate the presence of defects in the surface), is studied here by using computational simulation. The degree of disorder of the surface is tunable...

The localized monolayer adsorption of homonuclear dimers on heterogeneous surfaces with simple topographies is analyzed by combining theoretical modeling and Monte Carlo (MC) simulations. The heterogeneous surfaces are represented by lattices with two kinds of sites, the so-called bivariate...