dc.creatorRamirez Pastor, Antonio Jose
dc.creatorRomá, Federico José
dc.creatorRiccardo, Jose Luis
dc.date.accessioned2021-04-21T19:38:18Z
dc.date.accessioned2022-10-15T15:12:20Z
dc.date.available2021-04-21T19:38:18Z
dc.date.available2022-10-15T15:12:20Z
dc.date.created2021-04-21T19:38:18Z
dc.date.issued2009-09
dc.identifierRamirez Pastor, Antonio Jose; Romá, Federico José; Riccardo, Jose Luis; Configurational entropy in generalized lattice-gas models; World Scientific; International Journal of Modern Physics B; 23; 22; 9-2009; 4589-4627
dc.identifier0217-9792
dc.identifierhttp://hdl.handle.net/11336/130658
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/4401169
dc.description.abstractIn this review, we present our recent results concerning accurate calculations of configurational entropy in generalized lattice-gas models. The calculations are based on the use of the thermodynamic integration method. Different applications (or systems) have been considered. Namely, systems in presence of (i) anisotropy, (ii) energetic heterogeneity, (iii) geometric heterogeneity, and (iv) multisite-occupancy adsorption. Total energy is calculated by means of the Monte Carlo simulation. Then the entropy is obtained by using thermodynamic integration starting at a known reference state. In case (iv), the method relies upon the definition of an artificial Hamiltonian associated with the system of interest for which the entropy of a reference state can be exactly known. Thermodynamic integration is then applied to obtain the entropy in a given state of the system of interest. A rich variety of behaviors is found and analyzed in the context of the lattice-gas theory.
dc.languageeng
dc.publisherWorld Scientific
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1142/S0217979209053308
dc.relationinfo:eu-repo/semantics/altIdentifier/url/https://www.worldscientific.com/doi/10.1142/S0217979209053308
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subjectCONFIGURATIONAL ENTROPY
dc.subjectHETEROGENEOUS SURFACES
dc.subjectLATTICE-GAS THEORY
dc.subjectMONTE CARLO SIMULATION
dc.subjectMULTISITE OCCUPANCY
dc.titleConfigurational entropy in generalized lattice-gas models
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:ar-repo/semantics/artículo
dc.typeinfo:eu-repo/semantics/publishedVersion


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