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Effects of surface topography on the collective diffusion of interacting adsorbed particles
(Elsevier, 2014-12)
Collective diffusion of particles with repulsive nearest-neighbor interactions on bivariate surfaces is studied through Monte Carlo simulation, in the framework of the Kubo–Green theory. Shallow and deep adsorbing sites ...
Lattice-gas model of nonadditive interacting particles on nanotubes bundles
(American Institute of Physics, 2011-02-08)
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 ...
Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au
(Elsevier Science, 2005-03)
The evolution of a non-uniform Pt film adsorbed on Au, in contact with a solution containing [PtCl6]2- ions was studied by means of lattice gas/kinetic Monte Carlo simulations with pair potentials at 300 K in the canonical ...
Configurational entropy of adsorbed rigid rods: Theory and Monte Carlo simulations
(Elsevier Science, 2009-05)
The configurational entropy of straight rigid rods of length k (k-mers) adsorbed on square, honeycomb, and triangular lattices is studied by combining theory and Monte Carlo (MC) simulations in grand canonical and canonical ...
Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation
(Multi-Science Publishing, 2009-09)
The purpose of the present work was to study the effect of the adsorbate-adsorbate interaction energy for the glycine/Cu(110) system using a Monte Carlo simulation in the grand canonical ensemble. The dependence of the ...
Adsorption of binary mixtures on two-dimensional surfaces: theory and Monte Carlo simulations
(Springer, 2014-06)
The adsorption of binary mixtures on square lattices is studied by combining theoretical modeling and Monte Carlo (MC) simulations in grand canonical ensemble. The adsorption thermodynamics is analyzed through the total ...
Adsorption thermodynamics of two-domain antifreeze proteins: Theory and Monte Carlo simulations
(Royal Society of Chemistry, 2016-08)
In this paper we develop the statistical thermodynamics of two-domain antifreeze proteins adsorbed on ice. We use a coarse-grained model and a lattice network in order to represent the protein and ice, respectively. The ...