Time‐Varying Flexible Least Squares for Thermal Desorption of Gases |
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| Authors: | David J Miron Shane M Kendell Alaa M Munshi Abdullah K Alanazi Trevor C Brown |
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| Affiliation: | 1. School of Science and Technology, University of New England, , Armidale, NSW, 2351 Australia;2. Department of Chemistry, School of Science and Mathematics, Howard Payne University, , Brownwood, TX, 76801 |
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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. |
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