Coarse bifurcation analysis of kinetic Monte Carlo simulations: A lattice-gas model with lateral interactions

2002 ◽  
Vol 117 (18) ◽  
pp. 8229-8240 ◽  
Author(s):  
Alexei G. Makeev ◽  
Dimitrios Maroudas ◽  
Athanassios Z. Panagiotopoulos ◽  
Ioannis G. Kevrekidis
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Bifurcation Analysis ◽  
Lattice Gas ◽  
Kinetic Monte Carlo ◽  
Lattice Gas Model ◽  
Lateral Interactions ◽  
Kinetic Monte Carlo Simulations

scholarly journals Wetting of a solid surface by active matter

Soft Matter ◽  
2021 ◽  
Author(s):  
P. D. Neta ◽  
M. Tasinkevych ◽  
M. M. Telo da Gama ◽  
C. S. Dias
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Phase Boundary ◽  
Solid Surface ◽  
Lattice Gas ◽  
Kinetic Monte Carlo ◽  
Lattice Gas Model ◽  
Active Matter ◽  
Kinetic Monte Carlo Simulations ◽  
Wetting Film

Kinetic Monte Carlo simulations of an active lattice gas model indicate that the wetting film diverges in the whole range of activities considered, i.e. that the solid surface is always wet at the MIPS phase boundary.

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.

Kinetic Monte Carlo simulations of heterogeneously catalyzed oxidation reactions

2014 ◽  
Vol 4 (3) ◽  
pp. 583-598 ◽  
Author(s):  
Franziska Hess ◽  
Herbert Over
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Kinetic Monte Carlo ◽  
Surface Species ◽  
Lateral Interactions ◽  
Oxidation Reactions ◽  
Oxidation Of Co ◽  
Kinetic Monte Carlo Simulations ◽  
Kinetics Of ◽  
Catalyzed Oxidation

In this perspective, we focus on the catalyzed oxidation of CO and HCl over the model catalyst RuO2(110) and how the kinetics of these reactions can only properly be modeled by kinetic Monte Carlo (kMC) simulations when lateral interactions of the surface species are taken into account.

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