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Temperature-Dependent Adsorption of Argon on Gold: A Molecular Dynamics Study

[+] Author Affiliations
Steven R. Easter, Christopher H. Baker, Pamela M. Norris

University of Virginia, Charlottesville, VA

Paper No. IMECE2014-38629, pp. V08BT10A067; 5 pages
doi:10.1115/IMECE2014-38629
From:
  • ASME 2014 International Mechanical Engineering Congress and Exposition
  • Volume 8B: Heat Transfer and Thermal Engineering
  • Montreal, Quebec, Canada, November 14–20, 2014
  • Conference Sponsors: ASME
  • ISBN: 978-0-7918-4956-9
  • Copyright © 2014 by ASME

abstract

When a gas and solid surface are brought into contact, some gas atoms may adsorb onto the surface, forming one or more denser layers. Adsorption has direct uses in many technologies, for instance filtration and pharmacology, and the prevalence of gas-solid interfaces means that it impacts many other technologies. However much is still unknown concerning the microscopic dynamics of adsorption. To investigate the effect of temperature on adsorption, molecular dynamics simulations were performed on an interface between solid gold and gaseous argon. The gas was placed in contact with the solid, allowing adsorption of gas atoms under a constant system temperature. The results of the simulations were analyzed to study the effect of temperature on the density of the adsorbed layer and its rate of formation. When brought into contact, the gas adsorbed to form one or more layers, the density of which was found to be strongly temperature-dependent. A monolayer was observed for temperatures above 150 K while below that value a secondary layer formed. Simulations above 450 K showed an exponential relationship between mean steady-state density and temperature of the form Deq = αeβT.

Copyright © 2014 by ASME

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