A probabilistic analysis of the generation of dual site-bond models for the energy landscape of adsorbents is presented, focusing attention on the self-consistent case. To generate an uncorrelated site-bond energy landscape with prescribed distribution functions FS*(E) and FB*(E) consistent with the two basic laws of the dual site-bond model, the random variables associated with the site and bond energies should possess the local distribution functions FS(E) and FB(E), which are related to FS*(E) and FB*(E) through a nonlinear integral equation. In particular, the inverse problem in two dimensions is solved in closed form. The analytical solution for the inverse problem provides a clear description of the intrinsic correlation in the energy landscape induced by the fulfillment of the construction principle.
Probabilistic analysis of the dual site-bond model: the self-consistent case / Adrover, Alessandra. - In: LANGMUIR. - ISSN 0743-7463. - STAMPA. - 15:18(1999), pp. 5961-5969. (Intervento presentato al convegno 3rd International Symposium on the Effects of Surface Heterogeneity in Adsorption and Catalysis on Solids tenutosi a TORUN, POLAND nel AUG, 1998) [10.1021/la981321f].
Probabilistic analysis of the dual site-bond model: the self-consistent case
ADROVER, Alessandra
1999
Abstract
A probabilistic analysis of the generation of dual site-bond models for the energy landscape of adsorbents is presented, focusing attention on the self-consistent case. To generate an uncorrelated site-bond energy landscape with prescribed distribution functions FS*(E) and FB*(E) consistent with the two basic laws of the dual site-bond model, the random variables associated with the site and bond energies should possess the local distribution functions FS(E) and FB(E), which are related to FS*(E) and FB*(E) through a nonlinear integral equation. In particular, the inverse problem in two dimensions is solved in closed form. The analytical solution for the inverse problem provides a clear description of the intrinsic correlation in the energy landscape induced by the fulfillment of the construction principle.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
