Effect of the Coadsorption of CO and O2 on the Phase Diagram of the Ziff—Gulari—Barshad Model

(整期优先)网络出版时间:2002-04-14
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TheeffectofthecoadsorptionofCOandO2ontheZiff-Gulari-BarshadsurfacecatalyticreactionsysteminstudiedbyMonteCarlosimulation.ThecoadsorptionofbothspeciesaddsanextrareactionsteptotheclassicalZiff-Gulari-Barshadmodel.Itisshownthatthesecond-orderphasetransitionfromthereactivestatetotheO-passivatedstateintheZiff-Gulari-Barshadmodeliseliminated,andtheproductionrateofCO2increaseslinearlyalongthefractionycoofCOingasphasewhenitislow,inagreementwithexperimentalresults.WealsofindthattheincreaseoftheprobabilityofthecoadsorptionleadstothedecreaseofthecriticalvalueofycoofthediscontinuousphasetransitiontotheCO-passivatedstate.