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arXiv · 0810.0262

Effects of substrate relaxation on adsorption in pores

Hye-Young Kim·Silvina M. Gatica·George Stan·Milton W. Cole
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Abstract

Fluids in porous media are commonly studied with analytical or simulation methods, usually assuming that the host medium is rigid. By evaluating the substrate's response (relaxation) to the presence of the fluid we assess the error inherent in that assumption. One application is a determination of the ground state of 3He in slit and cylindrical pores. With the relaxation, there results a much stronger cohesion than would be found for a rigid host. Similar increased binding effects of relaxation are found for classical fluids confined within slit pores or nanotube bundles.

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Hye-Young Kim, Silvina M. Gatica, George Stan, Milton W. Cole. 2008-10-01. Effects of substrate relaxation on adsorption in pores. https://doi.org/10.1007/s10909-009-9884-0

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