INVESTIGADORES
PINTO Oscar Alejandro
artículos
Título:
Computer simulation of adsorption on nanoparticles: The case of attractive interactions
Autor/es:
PINTO O. A; LOPEZ DE MISHIMA, B.; LEIVA E. P.M; OVIEDO O. A.
Revista:
PHYSICAL REVIEW E - STATISTICAL PHYSICS, PLASMAS, FLUIDS AND RELATED INTERDISCIPLINARY TOPICS
Editorial:
American Physical Society
Referencias:
Año: 2012 vol. 86 p. 1 - 11
ISSN:
1063-651X
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.
