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Microkinetic evaluation of normal and inverse kinetic isotope effects during methane steam reforming to synthesis gas over a Ni/NiAl2O4 model catalyst

Paper ID Volume ID Publish Year Pages File Format Full-Text
39234 45813 2015 12 PDF Available
Title
Microkinetic evaluation of normal and inverse kinetic isotope effects during methane steam reforming to synthesis gas over a Ni/NiAl2O4 model catalyst
Abstract

•Microkinetic modelling of an extensive methane reforming experimental data set.•Preferred reaction pathway dependent on varying reaction conditions elucidated.•Experimentally observed inverse and normal isotope effects were explained.•Simultaneous evaluation of net rate and approach to partial equilibrium carried out.

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 873 K 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.

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Keywords
Microkinetic modelling; Methane steam reforming; Kinetic isotope effect; Reaction pathway; Partial equilibrium
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Microkinetic evaluation of normal and inverse kinetic isotope effects during methane steam reforming to synthesis gas over a Ni/NiAl2O4 model catalyst
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Publisher
Database: Elsevier - ScienceDirect
Journal: Applied Catalysis A: General - Volume 492, 25 February 2015, Pages 231–242
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us