Original Monte Carlo method for analysis of oxygen mobility in complex oxides by simulation of oxygen isotope exchange data

被引：5

作者：

Efremov, Dmitrii ^{[1
]}

Pinaeva, Larisa ^{[1
]}

Sadykov, Vladislav ^{[1
]}

Mirodatos, Claude ^{[2
]}

机构：

[1] Boreskov Inst Catalysis SB RAS, Novosibirsk 630090, Russia

[2] Inst Rech Catalyse, F-69626 Villeurbanne, France

来源：

SOLID STATE IONICS | 2008年 / 179卷 / 21-26期

关键词：

transient kinetic experiments; Monte Carlo simulation; CeO2-ZrO2Pt/CeO2-ZrO2-La2O3; isotopic oxygen exchange;

D O I：

10.1016/j.ssi.2007.12.015

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The kinetics of O-16/O-19 isotopic exchange over CeO2-ZrO2 and CeO2-ZrO2-La2O3 were investigated at T=923 K and P=760 Torr by original Monte Carlo method simulating these processes in the time mode of real transient kinetic experiments. The rate constants of the elementary stages of isotopic exchange giving excellent agreement between calculated and experimental isotopic transient curves were found. Preliminary results for modeling isotopic exchange over Pt/CeO2-ZrO2 and Pt/CrO2-ZrO2-La2O3 were also obtained and discussed. (C) 2008 Elsevier B.V. All rights reserved.

引用

页码：847 / 850

页数：4

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