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| - Modeling Capillary Condensation in CylindricalNanopores: A Molecular Dynamics Study
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| - We modeled condensation phenomena within cylindrical nanopores as a possible replacement for theKelvin model that underestimates nanometer order pore sizes. The proposed model follows the simpleconcept of a continuum assumption similar to that for the Kelvin model. The difference was in the introductionof the contribution of the pore-wall potential and the curvature-dependent surface tension in our model.A molecular dynamics (MD) technique developed by the authors for isotherm determination was employedto test the concept and the model. Several isotherms for N2-like Lennard-Jones (LJ) particles in a silicate-like cylindrical pore with various diameters from 2 to 4 nm were obtained through MD simulations, anda relation between pore diameter and critical condensation pressure was determined. The present modelsuccessfully described the relation to demonstrate its reliability. The validity of the proposed model wasexamined also from the aspect of the shape of the meniscus and the pressure profile in the condensed phase,and gave fairly good agreement.
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