Computer simulation of adsorption on nanoparticles: The case of attractive interactions

Autor:	O. A. Pinto, O. A. Oviedo, Ezequiel P. M. Leiva, B. A. López de Mishima
Rok vydání:	2012
Předmět:	Condensed Matter::Soft Condensed Matter Condensed Matter::Materials Science Range (particle radiation) Grand canonical ensemble Adsorption Materials science Chemical bond Monte Carlo method Thermodynamics Nanoparticle Physics::Chemical Physics
Zdroj:	Physical Review E. 86
ISSN:	1550-2376 1539-3755
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16a49c5a01b13b26dca8a1450572a748 https://doi.org/10.1103/physreve.86.061602 Zobrazit plný text záznamu