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Title: Time-Varying Flexible Least Squares for Thermal Desorption of Gases
Contributor(s): Miron, David J  (author)orcid ; Kendell, Shane (author); Munshi, Alaa M (author); Alanazi, Abdullah K (author); Brown, Trevor C  (author)orcid 
Publication Date: 2013
DOI: 10.1002/kin.20772
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Abstract: Time-varying linear regression via flexible least squares is used to determine temperature-dependent kinetic parameters during low-pressure, steady-state, temperature-programmed desorption from catalytic surfaces. The flexible least squares approach optimizes time-varying parameters by minimizing dynamic and measurement discrepancies between a linear theoretical model and experimental data using linear regression. The effectiveness of this approach is demonstrated by calculation of accurate temperature-dependent activation energies, preexponential factors, and differential conversion functions for the evolution of 3-methyl-2-oxetanone (β-lactone) during the selective oxidation of isobutane over aluminum phosphomolybdates.
Publication Type: Journal Article
Source of Publication: International Journal of Chemical Kinetics, 45(6), p. 374-386
Publisher: John Wiley & Sons Inc
Place of Publication: United States of America
ISSN: 1097-4601
Field of Research (FOR): 030703 Reaction Kinetics and Dynamics
030304 Physical Chemistry of Materials
030601 Catalysis and Mechanisms of Reactions
Socio-Economic Outcome Codes: 970109 Expanding Knowledge in Engineering
970103 Expanding Knowledge in the Chemical Sciences
Peer Reviewed: Yes
HERDC Category Description: C1 Refereed Article in a Scholarly Journal
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