Showing 1 - 10 of 6,882
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 bivariate lattice characterized by l×l patches of weak and strong adsorbing...
Persistent link: https://www.econbiz.de/10011064513
The localized monolayer adsorption of homonuclear dimers on heterogeneous surfaces with simple topographies is analyzed … triangular lattices. The adsorption process is monitored by following the adsorption isotherms. The scope of the present work is … to determine, via MC simulation and a theoretical model, the general properties of the adsorption of non …
Persistent link: https://www.econbiz.de/10011061281
simultaneously) are irreversibly adsorbed on the lattice. By means of random adsorption simulations and finite-size scaling analysis …
Persistent link: https://www.econbiz.de/10011194067
theoretical models to treat k-mer adsorption on two-dimensional lattices have been discussed: (i) the Flory–Huggins approximation …
Persistent link: https://www.econbiz.de/10010872341
The diffusion of a single dimer adsorbed on highly correlated heterogeneous substrates is studied through Monte Carlo simulations. The topography has been characterized by patches of weak and strong adsorbing sites, arranged in a chessboard-like ordered structure. The time behavior of the...
Persistent link: https://www.econbiz.de/10010589962
We have studied a model of self-interacting branched polymers on the three-dimensional Sierpinski gasket lattice, in the presence of an attractive impenetrable fractal boundary. Using an exact renoramlization group approach, we have determined the phase diagram boundaries of this model, and its...
Persistent link: https://www.econbiz.de/10011057087
Grand canonical Monte Carlo simulations have been performed in order to study adsorption thermodynamics of pairwise … strongly correlated surfaces. Adsorption isotherm, adsorption energy and differential heat of adsorption were calculated for … case of adsorption on fractal structures. The influence of ordered structures on thermodynamic quantities associated to the …
Persistent link: https://www.econbiz.de/10011064047
In the present paper, patterns of diffusion-limited aggregation (DLA) grown on nonuniform substrates are investigated by means of Monte Carlo simulations. We consider a nonuniform substrate as the largest percolation cluster of dropped particles with different structures and forms that occupy...
Persistent link: https://www.econbiz.de/10011064121
. Effects of the pore size on pressure–tensor components, the fluid–wall surface tension, and the adsorption are also compared …-well depth of the fluid-pore interaction, and the adsorption isotherms overlap each other almost completely for narrow pores and …
Persistent link: https://www.econbiz.de/10010872510
We studied the coverage dependence of the differential heat of adsorption in the presence of an order–disorder phase … theoretical approaches. The differential heat of adsorption appears as a sensitive quantity to the phase transition, allowing a …
Persistent link: https://www.econbiz.de/10010589310