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Sintering of nickel steam reforming catalysts: Effective mass diffusion constant for Ni-OH at nickel surfaces

Paper ID Volume ID Publish Year Pages File Format Full-Text
54124 46998 2014 10 PDF Available
Title
Sintering of nickel steam reforming catalysts: Effective mass diffusion constant for Ni-OH at nickel surfaces
Abstract

•DFT calculations find that Ni-OH has lowest combined energy of formation and diffusion.•This indicates that Ni-OH dominates nickel transport at nickel surfaces in H2O/H2 mixtures.•Relation between experimental sintering and effective mass diffusion for Ni-OH is established.•The effective mass diffusion constant for Ni-OH is determined from experimental data.•Bridging the gap between sintering in macroscopic catalysts and particle diffusion.

The lifetimes of heterogeneous catalysts in many widely used industrial processes are determined by the loss of active surface area. In this context, the underlying physical sintering mechanism and quantitative information about the rate of sintering at industrial conditions are relevant. In this paper, particle migration and coalescence in nickel steam reforming catalysts is studied. Density functional theory calculations indicate that Ni-OH dominate nickel transport at nickel surfaces in the presence of steam and hydrogen as Ni-OH has the lowest combined energies of formation and diffusion compared to other potential nickel transport species. The relation between experimental catalyst sintering data and the effective mass diffusion constant for Ni-OH is established by numerical modelling of the particle migration and coalescence process. Using this relation, the effective mass diffusion constant as a function of temperature is determined from experimental data to DNi-OHKNi-OH = 7.7 × 10−6 m2 s−1 bar−0.5exp((− 137 kJ/mol)/RT). With this work we are able to bridge the gap between sintering in macroscopic catalysts and microscopic particle diffusion.

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Keywords
Sintering; Nickel catalysts; Steam reforming; Diffusion; Particle migration
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Sintering of nickel steam reforming catalysts: Effective mass diffusion constant for Ni-OH at nickel surfaces
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Publisher
Database: Elsevier - ScienceDirect
Journal: Catalysis Today - Volume 228, 1 June 2014, Pages 22–31
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