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Titolo:
Monte Carlo model of oscillatory CO oxidation having regard to the change of catalytic properties due to the adsorbate-induced Pt(100) structural transformation
Autore:
Latkin, EI; Elokhin, VI; Gorodetskii, VV;
Indirizzi:
Boreskov Inst catalysis, Novosibirsk 630090, Russia Boreskov Inst catalysis Novosibirsk Russia 630090 sibirsk 630090, Russia Novosibirsk State Univ, Novosibirsk 630090, Russia Novosibirsk State UnivNovosibirsk Russia 630090 osibirsk 630090, Russia
Titolo Testata:
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
fascicolo: 1, volume: 166, anno: 2001,
pagine: 23 - 30
SICI:
1381-1169(20010122)166:1<23:MCMOOC>2.0.ZU;2-1
Fonte:
ISI
Lingua:
ENG
Soggetto:
KINETIC PHASE-TRANSITIONS; SINGLE-CRYSTAL SURFACES; COMPUTER-SIMULATIONS; DYNAMICS; PT(110);
Keywords:
CO oxidation; surface phase transformation; oscillations; autowaves; Monte Carlo model;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
29
Recensione:
Indirizzi per estratti:
Indirizzo: Elokhin, VI Boreskov Inst catalysis, Pr Lavrentieva 5, Novosibirsk 630090,Russia Boreskov Inst catalysis Pr Lavrentieva 5 Novosibirsk Russia 630090
Citazione:
E.I. Latkin et al., "Monte Carlo model of oscillatory CO oxidation having regard to the change of catalytic properties due to the adsorbate-induced Pt(100) structural transformation", J MOL CAT A, 166(1), 2001, pp. 23-30

Abstract

The statistical lattice model has been constructed for the oscillatory (CO+ O-2)/Pt(1 0 0) reaction, The model takes into account the change of surface properties due to the adsorbate-induced reversible surface transformation hex <->1 x 1. The Monte Carlo simulations reproduce the hysteresis and the synchronous oscillations of reaction rate, O-ads and COads coverages andhex and 1 x 1 surface phases under the conditions close to the experimental ones. Self-oscillations of the reaction rate are accompanied by autowave processes on the model platinum surface. The existence of the reaction zonebetween the moving adsorbate islands has been shown. (C) 2001 Elsevier Science B,V, All rights reserved.

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Documento generato il 09/07/20 alle ore 01:21:29