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| - Water in Nanopores: III. Surface Phase Transitions of Water on Hydrophilic Surfaces
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| - Water in hydrophilic pores shows a rich phase diagram due to the appearance of the surface phase transitions.By simulation studies of water in various hydrophilic pores, we have analyzed the evolution of the waterphase diagram with the strengthening of a water−wall interaction potential U0. A second-order wetting transitionis observed rather close to the liquid−vapor critical temperature when U0 ≈ −2 kcal/mol. The wettingtemperature rapidly decreases with the strengthening of a water−wall interaction. A first-order wetting transition,accompanied by a prewetting transition, is observed when the hydrophilicity of the walls is within the rangeof −4 ≤ U0 ≤ −3 kcal/mol. At U0 ≤ −4 kcal/mol, the temperature of the wetting transition is below the bulkfreezing temperature, and one or two layering transitions appear instead of the prewetting transition. Coexistencecurves of the first layering transition are well described by the two-dimensional Ising model with criticalexponent β = 0.125. The critical temperature of a layering transition is not sensitive to the pore size andshape. It is always above the bulk freezing temperature and varies from about 400 K at U0 ≈ −3 kcal/molto about 330 K for quasi-two-dimensional water.
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