DOI: 10.1063/1.1883629. n -alkanes on MgO(100). I. Coverage-dependent desorption kinetics of n-butane

n -alkanes on MgO(100). I. Coverage-dependent desorption kinetics of n-butane

10.1063/1.1883629

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

High-quality temperature-programmed desorption (TPD) measurements of n-butane from MgO(100) have been made for a large number of initial butane coverages (0–3.70 ML, ML–monolayers) and a wide range of heating ramp rates (0.3–10K∕s). We present a TPD analysis technique which allows the coverage-dependent desorption energy to be accurately determined by mathematical inversion of a TPD spectrum, assuming only that the preexponential factor (prefactor) is coverage independent. A variational method is used to determine the prefactor that minimizes the difference between a set of simulated TPD spectra and corresponding experimental data. The best fit for butane desorption from MgO is obtained with a prefactor of 1015.7±1.6s−1. The desorption energy is 34.9±3.4kJ∕mol at 0.5-ML coverage, and varies with coverage approximately as Ed(θ)=34.5+0.566θ+8.37exp(−θ∕0.101). Simulations based on these results can accurately reproduce TPD experiments for submonolayer initial coverages over a wide range of heating ramp rates (0.3–10K∕s). Advantages and limitations of this method are discussed.

Bibliography

Tait, S. L., DohnÃ¡lek, Z., Campbell, C. T., & Kay, B. D. (2005). n -alkanes on MgO(100). I. Coverage-dependent desorption kinetics of n-butane. The Journal of Chemical Physics, 122(16).

Authors 4

Steven L. Tait (first)
Zdenek Dohnálek (additional)
Charles T. Campbell (additional)
Bruce D. Kay (additional)

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Dates

Type	When
Created	20 years, 4 months ago (April 25, 2005, 6:01 p.m.)
Deposited	2 years, 1 month ago (July 3, 2023, 9:51 p.m.)
Indexed	1 month ago (July 30, 2025, 6:44 a.m.)
Issued	20 years, 4 months ago (April 22, 2005)
Published	20 years, 4 months ago (April 22, 2005)
Published Online	20 years, 4 months ago (April 27, 2005)
Published Print	20 years, 4 months ago (April 22, 2005)

Funders 0

None

BibTeX

@article{Tait_2005, title={n -alkanes on MgO(100). I. Coverage-dependent desorption kinetics of n-butane}, volume={122}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1883629}, DOI={10.1063/1.1883629}, number={16}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Tait, Steven L. and Dohnálek, Zdenek and Campbell, Charles T. and Kay, Bruce D.}, year={2005}, month=apr }

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