In this review, we present our recent results concerning accurate calculations of configurational entropy in generalized lattice-gas models. The calculations are based on the use of the thermodynamic integration method. ...

The adsorption of interacting binary mixtures on triangular lattices is studied by combining theory and Monte Carlo (MC) simulations. Two theoretical approximations are used in the present work: (i) the cluster approximation ...

The rigorous statistical thermodynamics of interacting linear adsorbates (k-mers) on a discrete onedimensional space is presented in the lattice gas approximation. The coverage and temperature dependence of the Helmholtz ...

In the present paper, the adsorption thermodynamics of a lattice-gas model which mimics a nanoporous environment is studied by considering nonadditive interactions between the adsorbed particles. It is assumed that the ...

In this paper, a two-dimensional lattice-gas model is applied to study the stability and lattice distortion of sI clathrate hydrates of ethylene. Two levels of approximation are considered for the lateral interactions ...

Standard Monte Carlo simulation was used in the Grand Canonical Ensemble to study the electrosorption of a repulsive binary mixture on a modified electrode surface, to identify and analyze the individual contribution of ...

The configurational entropy of repulsive interacting particles adsorbed on heterogeneous surfaces is studied by combining Monte Carlo simulation and thermodynamic integration method. The substrate is represented by a ...

We present a Monte Carlo study for the electrosorption of an electroactive species on a modified electrode. The surface of the electrode is modified by the irreversible adsorption of a non-electroactive species which is ...

In this work, the adsorption-desorption kinetic in the framework of the lattice gas model is analyzed. The transition probabilities are written as an expansion of the occupation configurations. Due to that, the detail ...

The adsorption-desorption process occurring on heterogeneous surfaces is studied by considering a special case where a fractal is used as adsorbent. The fractal surface is the spanning cluster corresponding to the random ...