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Submitter:
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Anthony Mcdaniel |
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Title:
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The implementation of a surface mechanism for NO oxidation, NOx storage, and NOx desorption over Pt/BaO/Al2O3 using Chemkin utilities. |
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Description:
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This document describes the implementation of a surface mechanism for NO oxidation, NOx storage, and
NOx desorption over Pt/BaO/Al2O3 using Chemkin utilities. The reaction network was taken from Olsson
et al., J. Phys. Chem. B 2001, 105, 6895-6906 and translated from a pseudo first-order turnover
frequency (TOF) formalism to a mass action rate law formalism which is more suitable for utilization within
Chemkin applications. This distribution includes Chemkin input files, a fortran user routine, raw data
digitized from the article, and example output from a transient perfectly-stirred reactor (PSR) simulation.
In addition, a detailed description of the mapping between TOF and mass action expressions is supplied,
along with a short narrative on implementing surface diffusion of adsorbed NO2 between Pt and BaO
active sites, described by Olsson et al. to account for spillover effects, but which cannot be directly
resolved within the PSR model. The example problem makes use of Chemkin 3.7.1 and assumes
familiarity with this software. For more information regarding Chemkin please consult the URL
www.reactiondesign.com. |
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Category:
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Reaction Mechanisms |
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Technology Classification:
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Lean-NOx traps |
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Method Classification:
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Numerical |
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Date Submitted:
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2003-11-06 |
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Number of Ratings:
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0 |
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Average Rating:
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Not Rated |
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Documentation:
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Readme |
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File(s) Details
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Filename:
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1068152823_Pt_BaO_Al2O3.zip
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File Size:
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1696 KB
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Number of Downloads:
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486
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Download Now:
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