Microkinetic modeling of Pt-catalyzed ethylene glycol steam reforming

被引:23
作者
Christiansen, Matthew A.
Vlachos, Dionisios G. [1 ]
机构
[1] Univ Delaware, Dept Chem & Biomol Engn, Catalysis Ctr Energy Innovat, Newark, DE 19716 USA
基金
美国国家科学基金会;
关键词
Microkinetic modeling; Platinum; Ethylene glycol; Steam reforming; DFT; BEPs; GAS-SHIFT REACTION; GROUP ADDITIVITY; PLATINUM; KINETICS; PREDICTION; METHANOL; DEHYDROGENATION; HYDROGENOLYSIS; SENSITIVITY; ADSORPTION;
D O I
10.1016/j.apcata.2012.04.010
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 predictive mean-field microkinetic model is developed for steam reforming of ethylene glycol over a Pt catalyst using a hierarchical multiscale modeling approach. The model's predictive capabilities are assessed by comparison to experimental data under kinetically controlled conditions. It is found that early dehydrogenation reaction steps control the reaction rate, highlighting a kinetic analogy between ethylene glycol steam reforming and CH4 steam reforming on Pt catalysts. (c) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码:18 / 24
页数:7
相关论文
共 33 条
[1]   Catalytic conversion of biomass to biofuels [J].
Alonso, David Martin ;
Bond, Jesse Q. ;
Dumesic, James A. .
GREEN CHEMISTRY, 2010, 12 (09) :1493-1513
[2]  
[Anonymous], 1995, OSTI200217
[3]   Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni(111) under Realistic Conditions [J].
Blaylock, D. Wayne ;
Ogura, Teppei ;
Green, William H. ;
Beran, Gregory J. O. .
JOURNAL OF PHYSICAL CHEMISTRY C, 2009, 113 (12) :4898-4908
[4]   Studies of the water-gas-shift reaction on ceria-supported Pt, Pd, and Rh: implications for oxygen-storage properties [J].
Bunluesin, T ;
Gorte, RJ ;
Graham, GW .
APPLIED CATALYSIS B-ENVIRONMENTAL, 1998, 15 (1-2) :107-114
[5]   Micro- and macro-kinetics: their relationship in heterogeneous catalysis [J].
Campbell, Charles T. .
TOPICS IN CATALYSIS, 1994, 1 (3-4) :353-366
[6]   Hydrogenation of Ethylene and Dehydrogenation and Hydrogenolysis of Ethane on Pt(111) and Pt(211): A Density Functional Theory Study [J].
Chen, Ying ;
Vlachos, Dionisios G. .
JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 114 (11) :4973-4982
[7]   SURFACE CHEMKIN - A GENERAL FORMALISM AND SOFTWARE FOR ANALYZING HETEROGENEOUS CHEMICAL-KINETICS AT A GAS-SURFACE INTERFACE [J].
COLTRIN, ME ;
KEE, RJ ;
RUPLEY, FM .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1991, 23 (12) :1111-1128
[8]  
COLTRIN ME, 1991, SAND908003B
[9]   Kinetics of ethane hydrogenolysis over supported platinum catalysts [J].
Cortright, RD ;
Watwe, RM ;
Spiewak, BE ;
Dumesic, JA .
CATALYSIS TODAY, 1999, 53 (03) :395-406
[10]  
Dumesic J. A., 1993, MICROKINETICS HETERO