Role of confinement and surface affinity on filling mechanisms and sorption hysteresis of water in nanopores
The liquid-vapor transition in cylindrical pores is studied as a function of pore size and hydrophilicity through molecular dynamics simulations with the mW coarse-grained model of water. We identify two distinct filling mechanisms, depending on whether the water-pore interaction is smaller or large...
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2012
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_19327447_v116_n2_p1833_DeLaLlave http://hdl.handle.net/20.500.12110/paper_19327447_v116_n2_p1833_DeLaLlave |
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