Self-diffusion in a 2D lattice gas with lateral interactions

1993 ◽  
Vol 281 (1-2) ◽  
pp. 178-190 ◽  
Author(s):  
R. Ferrando ◽  
E. Scalas
Keyword(s):  
Lattice Gas ◽  
Lateral Interactions ◽  
Self Diffusion

scholarly journals Halide Electroadsorption on Single Crystal Surfaces

1996 ◽  
Vol 451 ◽  
Author(s):  
B. M. Ocko ◽  
Th. Wandlowski
Keyword(s):  
Lattice Gas ◽  
Ordered Structure ◽  
Lateral Interactions ◽  
Crystal Surfaces ◽  
Single Crystal Surfaces ◽  
Critical Potential ◽  
X Ray ◽  
X Ray Scattering ◽  
Disordered Phase ◽  
Ordered Phases

ABSTRACTThe structure and phase behavior of halides have been investigated on single crystals of Ag and Au using synchrotron x-ray scattering techniques. The adlayer coverages are potential dependent. For all halides studied we found that with increasing potential, at a critical potential, a disordered adlayer transforms into an ordered structure. Often these ordered phases are incommensurate and exhibit potential-dependent lateral separations (electrocom-pression). We have analyzed the electrocompression in terms of a model which includes lateral interactions and partial charge. A continuous compression is not observed for Br on Ag(100). Rather, we find that the adsorption is site-specific (lattice gas) in both the ordered and disordered phases. The coverage increases with increasing potential and at a critical potential the disordered phase transforms to a well-ordered commensurate structure.

The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study

2015 ◽  
Vol 17 (5) ◽  
pp. 3050-3058 ◽  
Author(s):  
O. A. Pinto ◽  
P. M. Pasinetti ◽  
A. J. Ramirez-Pastor ◽  
F. D. Nieto
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Binary Mixtures ◽  
Lattice Gas ◽  
Monte Carlo Study ◽  
Lattice Gas Model ◽  
Grand Canonical Monte Carlo ◽  
Lateral Interactions ◽  
Additive Interactions ◽  
Grand Canonical

The adsorption of binary mixtures with non-additive lateral interactions has been studied through grand canonical Monte Carlo simulations in the framework of the lattice-gas model.

scholarly journals Monte Carlo Simulation of the Adsorption of Binary Gas Mixtures on Heterogeneous Surfaces

2005 ◽  
Vol 23 (2) ◽  
pp. 81-93 ◽  
Author(s):  
F. Bulnes ◽  
A.J. Ramirez-Pastor ◽  
G. Zgrablich
Keyword(s):  
Monte Carlo Simulation ◽  
Lattice Gas ◽  
Gas Adsorption ◽  
Molecular Level ◽  
Gaseous Mixture ◽  
Heterogeneous Surfaces ◽  
Lateral Interactions ◽  
Mixed Gas ◽  
Heats Of Adsorption ◽  
Rich Variety

The adsorption of a gaseous mixture containing particles A and B was studied via lattice-gas simulations on homogeneous and heterogeneous bivariate surfaces characterized by a chessboard topography of strong and weak adsorbing sites. The effects of lateral interactions among adsorbed particles and of heterogeneity on the adsorption isotherms and differential heats of adsorption were analyzed. The results displayed a rich variety of behaviours and their analysis contributes to the understanding of mixed-gas adsorption at a molecular level.

Adsorption thermodynamics of a lattice–gas model with non-additive lateral interactions

2008 ◽  
Vol 602 (10) ◽  
pp. 1763-1769 ◽  
Author(s):  
O.A. Pinto ◽  
A.J. Ramirez-Pastor ◽  
F. Nieto
Keyword(s):  
Lattice Gas ◽  
Lattice Gas Model ◽  
Adsorption Thermodynamics ◽  
Lateral Interactions

Lattice-Gas Models of Electrochemical Adsorption: Static and Dynamic Aspects

1996 ◽  
Vol 451 ◽  
Author(s):  
Per Arne Rikvold ◽  
Andrzej Wieckowski ◽  
Raphael A. Ramos
Keyword(s):  
Lattice Gas ◽  
Time Dependent ◽  
Temperature Phase ◽  
Zero Temperature ◽  
Lateral Interactions ◽  
Model Formulation ◽  
Lattice Gas Models ◽  
Statistical Mechanical ◽  
Far From Equilibrium ◽  
Electrochemical Adsorption

ABSTRACTWe discuss applications of statistical-mechanical lattice-gas models to electrochemical adsorption. Our strategy to describe specific systems includes microscopic model formulation, calculation of zero-temperature phase diagrams, numerical simulation of thermody-namic and structural quantities at nonzero temperatures, and estimation of effective, lateral interactions. We report applications to adsorption on single-crystal electrodes, presenting simulated and experimental coverages and voltammetric currents for urea on Pt(100) and the underpotential deposition of Cu on Au(111) in sulfuric acid. We also discuss an extension of the method to study time-dependent phenomena far from equilibrium.

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