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Theoretical study of adsorption of hydrocarbons on graphite

✍ Scribed by T. L. Sordo; J. A. Sordo; R. Flórez

Publisher
John Wiley and Sons
Year
1990
Tongue
English
Weight
460 KB
Volume
11
Category
Article
ISSN
0192-8651

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✦ Synopsis

The adsorption of methane, ethane, propane, n-butane, ethylene, propene, 1-butene, 1,3-butadiene, acetylene, benzene, toluene, naphthalene, anthracene, and pyrene on the basal plane of graphite has been studied by means of a semiempirical method proposed by Fraga based on a 1/R expansion of atomatom pair potentials. The energies of interaction obtained agree reasonably well with experimental data and statistical calculations. The orientation of the adsorbed molecules relative to the graphite surface rendered by Fraga's method improves the picture provided by other calculations with empirical potentials. These results display Fraga's method as an economical alternative for the study of physisorption of hydrocarbons on the graphite surface.

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