Time-Varying Flexible Least Squares for Thermal Desorption of Gases

Title
Time-Varying Flexible Least Squares for Thermal Desorption of Gases
Publication Date
2013
Author(s)
Miron, David J
( author )
OrcID: https://orcid.org/0000-0003-2157-5439
Email: dmiron@une.edu.au
UNE Id une-id:dmiron
Kendell, Shane
Munshi, Alaa M
Alanazi, Abdullah K
Brown, Trevor C
( author )
OrcID: https://orcid.org/0000-0003-0008-1309
Email: tbrown3@une.edu.au
UNE Id une-id:tbrown3
Type of document
Journal Article
Language
en
Entity Type
Publication
Publisher
John Wiley & Sons, Inc
Place of publication
United States of America
DOI
10.1002/kin.20772
UNE publication id
une:12823
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.
Link
Citation
International Journal of Chemical Kinetics, 45(6), p. 374-386
ISSN
1097-4601
0538-8066
Start page
374
End page
386

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