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PP-III-68INFLUENCE OF SPILLOVER ON EQULIBRIUM COVERAGE OFSUPPORTED Pt NANOPARTICLES BY CARBON MONOXIDE:MONTE CARLO SIMULATIONStishenko P.V. 1 , Myshlyavtsev A.V. 1,21 Omsk State Technical University, Russia, pvstishenko@omgtu.ru2 Institute of Hydrocarbons Processing SB RAS, Omsk, RussiaEnhanced catalytic activity of metallic nanoparticles (NP) was initially discoveredfor Au in 1989 and stimulated numerous researches in this area. Since then asignificant progress has been archived in explanation of this phenomenon. Alsomany other interesting properties of NP were found. Today NP are used in vastmajority of modern catalysts and considered to be applied in electronics, photonics,medicine, data storage devices, chemical sensors and etc. According to modernnotion, peculiar properties of NP can be explained with presence of different kinds ofmetal faces, including high index ones and with different surfaces defects such asvacancies, steps and kinks. Influence of a support via spillover effect also recognizedto be significant for some reactions and processes [1].Despite progress in this field, a complete computer model still exists neither forcatalytic processes nor even for adsorption-desorption processes on NP surface.There are numerous experimental and computer simulation researches dedicated toinvestigation of equilibrium shape of NP. Many approaches and algorithms exist forsimulation of adsorption of heterogeneous bulk surfaces [2]. With DFT approachsimple reactions on NP surface can be investigated [3] but this method is toocomputationally expensive to be used with realistic size nanoparticles (hundreds andthousands of atoms).We propose a model of adsorption on supported metallic NP which takes intoaccount possible changes of NP shape such as variation of relation of face typessquares and formation of above mentioned surface defects in a limit of latticerepresentation. For description of adsorption an explicit tying to some definite localconfiguration of surface atoms is used. This allows simulation of multiple adsorptionsite types described in a manner compatible with existing data about adsorptionenergy known from experimental works and from computations with lowerapproximation level, i.e. molecular dynamics and DFT. Influence of a support viaspillover effect can be simulated using special adsorption sites on a support.565