期刊
APPLIED CATALYSIS A-GENERAL
卷 492, 期 -, 页码 231-242出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.apcata.2014.10.062
关键词
Microkinetic modelling; Methane steam reforming; Kinetic isotope effect; Reaction pathway; Partial equilibrium
资金
- Norwegian Research Council, through the RENERGI project Hydrogen Production by Sorbent Enhanced Reforming [P 178129/S30]
- European Commission in the 7th Framework Programme [228953]
A microkinetic model was developed and applied to simulate an extensive experimental dataset on methane steam reforming. The data set consisted of 537 data points, and was collected over a Ni/NiAl2O4 catalyst at 843, 858, and 8731< in a wide steam-to-carbon ratio range between 0.2 and 7.1. A microkinetic engine modeling tool was applied for the construction and parameter estimation of an elementary step network consisting of 12 reversible reactions. Specific reaction pathways were implemented for the formation of CO and CO2, respectively. The model qualitatively if not quantitatively explains inverse and normal isotope effects experimentally observed at low and high S/C ratios, respectively, and is thermodynamically consistent. A combination of the approach to partial equilibrium (i.e. whether the elementary step proceeds forward or backward) and net rate (i.e. the difference between forward and backward reaction rate) provides novel insight into the oxidation mechanism of CHx and CHxO surface species. (C) 2014 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据