INVESTIGADORES
RAMIREZ PASTOR antonio Jose
artículos
Título:
Configurational entropy in generalized lattice-gas models
Autor/es:
A. J. RAMIREZ-PASTOR; F. ROMÁ; J. L. RICCARDO
Revista:
INTERNATIONAL JOURNAL OF MODERN PHYSICS B
Editorial:
WORLD SCIENTIFIC PUBL CO PTE LTD
Referencias:
Año: 2009 vol. 23 p. 4589 - 4627
ISSN:
0217-9792
Resumen:
In this review, we present our recent results concerning accurate calculations of con gu-rational entropy in generalized lattice-gas models. The calculations are based on the useof the thermodynamic integration method. Di erent applications (or systems) have beenconsidered. Namely, systems in presence of (i) anisotropy, (ii) energetic heterogeneity,(iii) geometric heterogeneity, and (iv) multisite-occupancy adsorption. Total energy iscalculated by means of the Monte Carlo simulation. Then the entropy is obtained byusing thermodynamic integration starting at a known reference state. In case (iv), themethod relies upon the de nition of an arti cial Hamiltonian associated with the systemof interest for which the entropy of a reference state can be exactly known. Thermody-namic integration is then applied to obtain the entropy in a given state of the system ofinterest. A rich variety of behaviors is found and analyzed in the context of the lattice-gastheory.
