INFIQC 05475
INSTITUTO DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Unidad Ejecutora - UE
artículos
Título:
Computer Simulation of Adsorption on Nanoparticles. The case of Attractive Interactions
Autor/es:
O.A. PINTO, B. MISHIMA, E. P. M. LEIVA AND O. A. OVIEDO
Revista:
PHYSICAL REVIEW B
Editorial:
AMER PHYSICAL SOC
Referencias:
Lugar: New York; Año: 2012 vol. 86 p. 616021 - 6160211
ISSN:
1098-0121
Resumen:
A lattice-gas model describing adsorption on nanoparticles of different sizes and shapes is proposed and the adsorption thermodynamics is studied. The nanoparticle is modeled assuming different geometries, and Monte Carlo simulations are performed in the grand canonical ensemble. Adsorption isotherms, differential heats of adsorption, and other relevant thermodynamic properties are analyzed as a function of nanoparticle sizes. The simulations cover a wide range of interactions, ranging from physical to strong chemical bonds.
