Miron, David J; Kendell, Shane; Munshi, Alaa M; Alanazi, Abdullah K; Brown, Trevor C

Author(s)

Miron, David J

Kendell, Shane

Munshi, Alaa M

Alanazi, Abdullah K

Brown, Trevor C

Publication Date

2013

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.

Citation

International Journal of Chemical Kinetics, 45(6), p. 374-386

ISSN

1097-4601

0538-8066

Link

https://hdl.handle.net/1959.11/12616

Publisher

John Wiley & Sons, Inc

Title

Time-Varying Flexible Least Squares for Thermal Desorption of Gases

Type of document

Journal Article

Entity Type

Publication

Author(s)	Miron, David J Kendell, Shane Munshi, Alaa M Alanazi, Abdullah K Brown, Trevor C
Publication Date	2013
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.
Citation	International Journal of Chemical Kinetics, 45(6), p. 374-386
ISSN	1097-4601 0538-8066
Link	https://hdl.handle.net/1959.11/12616
Publisher	John Wiley & Sons, Inc
Title	Time-Varying Flexible Least Squares for Thermal Desorption of Gases
Type of document	Journal Article
Entity Type	Publication

Time-Varying Flexible Least Squares for Thermal Desorption of Gases

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