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Gas physisorption studied with density functional theory: hysteresis and the Kelvin equation

By O.L.J. Gijzeman and R. van Roij


We study nitrogen adsorption on oxidic surfaces within the framework of density functional\ud theory. On the basis of a simple free energy functional, with which we calculate nitrogen\ud density profiles and adsorption isotherms, we argue that some experimental hysteresis effects\ud can directly be related to metastable phases: the jumps in the adsorption occur at the spinodal\ud of the metastable branches. For sufficiently large slits or cylinders this occurs at a “universal”\ud relative pressure of 0:42 in the desorption branch. The agreement of the classical Kelvin theory,\ud used to describe hysteresis by the effect of curved menisci, with our present approach is shown\ud to be approximate only

Topics: Natuur- en Sterrenkunde
Year: 2005
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