Реферат: The aim of the study is to reveal the mutual influence of the shape and of the surface morphol. of the supported catalytic particle of nanometer size and the kinetics of the performed reaction. The anal. has been provided by means of the novel statistical lattice model, imitating the physicochem. processes over the supported catalytic particles. To model the active metal particle the Kossel crystal located on the inert support has been chosen. The change of morphol. can be caused by the diffusion of the surface atoms (the metal atoms attract each other and the atoms of support with some interaction energies)​. As a result the equil. shapes of the particle has been obsd. depending on the temp. and the relative ratio of the interaction energies -​metal-​metal- and -​metal-​support-​. The model reaction A+B2 has been studied taking into account the roughening of the active particle surface and the spillover phenomena of the adsorbed Aads species over the support surface. It has been showed that the kinetics on the nanometer-​size particle can be remarkably different from those corresponding to the infinite surface. The influence of monomol. and dissociative adsorption on the equil. shape and surface morphol. has been studied. It has been shown that at increasing of interaction energies -​adsorbate-​metal- the reshaping of the initial equil. (hemispheric) particle into cone-​shaped one occurs induced by adsorption. In the case of bimol. dissociative adsorption the surface regions of the metal particle become the pronounced -​chessboard- structure (alternate vacancies and point defects)​. The adsorption isotherms simulated with taking into account the interaction (attraction) between atoms of metal and adsorbate differ noticeably from the ideal Langmuir isotherm.

Библиографическая ссылка: Elokhin V.I. , Kovalyov E.V. , Resnyanskii E.D. , Bal'zhinimaev B.S. , Myshlyavtsev A.V.
Novel Statistical Lattice Model of the Adsorption and Reaction Processes Performance on the Supported Nanometer Sized Catalyst Taking into Account the Change of the Shape and of the Surface Morphology of the Catalyst Particle
В сборнике Abstracts of Papers, 222nd ACS National Meeting, Chicago, IL, United States, August 26-30, 2001. 2001. – C.U367-U367. WOS CAPlus Sciact

Даты:

Опубликована в печати:

1 авг. 2001 г.

Идентификаторы БД:

Web of science:	WOS:000170690001821
Chemical Abstracts:	2001:638270
Sciact:	28579