Modeling the simultaneous oxidation of CO and H2 on Pt - Promoting effect of H2 on the CO-light-off

被引:43
作者
Hauptmann, W. [1 ,2 ]
Votsmeier, M. [1 ]
Vogel, H. [2 ]
Vlachos, D. G. [3 ,4 ]
机构
[1] Umicore AG & Co KG, D-63403 Hanau, Germany
[2] Tech Univ Darmstadt, Ernst Berl Inst Tech & Makromol, D-64287 Darmstadt, Germany
[3] Univ Delaware, Dept Chem Engn, Newark, DE 19716 USA
[4] Univ Delaware, Ctr Catalyt Sci & Technol, Newark, DE 19716 USA
基金
美国国家科学基金会;
关键词
CO oxidation; H-2; oxidation; Promotion; Pt; Microkinetic model; Light-off; Carboxyl-path; SURFACE-REACTION MECHANISMS; WATER-GAS SHIFT; CARBON-MONOXIDE; CATALYTIC-OXIDATION; PT(111) SURFACE; INFRARED-SPECTROSCOPY; PT/AL2O3; CATALYST; MOLECULAR-BEAM; PLATINUM; ADSORPTION;
D O I
10.1016/j.apcata.2011.02.031
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
A microkinetic model is developed to simulate the promoting effect of H-2 on the light-off of CO oxidation on platinum. It is shown that the coupling of the CO and the H-2 oxidation sub-mechanisms, via the hydroxyl intermediate and its reaction with CO to carboxyl, is crucial to describe the process. This carboxyl-path was not considered in previous modeling studies. (C) 2011 Elsevier B.V. All rights reserved.
引用
收藏
页码:174 / 182
页数:9
相关论文
共 43 条
[1]   Construction and optimization of complex surface-reaction mechanisms [J].
Aghalayam, P ;
Park, YK ;
Vlachos, DG .
AICHE JOURNAL, 2000, 46 (10) :2017-2029
[2]  
[Anonymous], TASCHENBUCH VERSUCHS
[3]   COADSORPTION OF HYDROGEN AND CARBON MONOXIDE ON (111) PLATINUM [J].
BALDWIN, VH ;
HUDSON, JB .
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY, 1971, 8 (01) :49-&
[4]   CO oxidation on Pt(111) promoted by coadsorbed H2O [J].
Bergeld, J ;
Kasemo, B ;
Chakarov, DV .
SURFACE SCIENCE, 2001, 495 (03) :L815-L820
[5]   Kinetic and bifurcation analysis of the cooxidation of CO and H2 in catalytic monolith reactors [J].
Bhatia, Divesh ;
Harold, Michael P. ;
Balakotaiah, Vemuri .
CHEMICAL ENGINEERING SCIENCE, 2009, 64 (07) :1544-1558
[6]   Oxidation of CO on a Pt/A12O3 catalyst:: from the surface elementary steps to light-off tests IV.: Kinetic study of the reduction by CO of strongly adsorbed oxygen species [J].
Bourane, A ;
Bianchi, D .
JOURNAL OF CATALYSIS, 2003, 220 (01) :3-12
[7]   Heats of adsorption of the linear CO species adsorbed on a Pt/Al2O3 catalyst in the presence of coadsorbed species using FTIR spectroscopy [J].
Bourane, A ;
Dulaurent, O ;
Bianchi, D .
LANGMUIR, 2001, 17 (18) :5496-5502
[8]   Heats of adsorption of linear and multibound adsorbed CO species on a Pt/Al2O3 catalyst using in Situ infrared spectroscopy under adsorption equilibrium [J].
Bourane, A ;
Dulaurent, O ;
Bianchi, D .
JOURNAL OF CATALYSIS, 2000, 196 (01) :115-125
[9]  
Brenan K.E., 1989, Numerical Solution of Initial-Value Problems in Differential-Algebraic Equations, Algebraic Equations
[10]   Micro- and macro-kinetics: their relationship in heterogeneous catalysis [J].
Campbell, Charles T. .
TOPICS IN CATALYSIS, 1994, 1 (3-4) :353-366