Simulation of methanol adsorption on Pt/Ru catalysts

被引：14

作者：

Christov, M

Sundmacher, K

机构：

[1] Max Planck Inst Dynam Komplexer Tech Syst, D-39106 Magdeburg, Germany

[2] Univ Chem Technol & Met, Dept Chem Phys, Sofia 1756, Bulgaria

来源：

SURFACE SCIENCE | 2003年 / 547卷 / 1-2期

关键词：

computer simulations; adsorption kinetics; catalysis; platinum; ruthenium; alloys; alcohols;

D O I：

10.1016/j.susc.2003.09.020

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 irreversible adsorption of methanol on Pt/Ru catalysts is studied by simulation of the adsorption process on square and hexagonal lattice. It is assumed that three adjacent Pt sites are needed. The maximum degree of coverage is deter-mined as a function of the Ru surface content. A simple first order adsorption kinetic equation, taking the maximum degrees of coverage into account, fits the simulation results well. It is shown that catalysts containing 10-30% Ru should have the best catalytic properties at low temperatures. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：1 / 8

页数：8

共 44 条

[41] Dynamics of the direct methanol fuel cell (DMFC): experiments and model-based analysis [J].