纳米孔中的水：微腔的自发形成
Water confined in nanopores: spontaneous formation of microcavities
摘要：
分子动力学模拟的水被限制在纳米尺寸，疏水性通道显示，水形成局部空腔的孔径~ 2.0 nm。腔体呈现非球形形状，并且优选地邻近限制壁放置，从而引起液体暴露表面的特殊形式。局部空化的制度似乎与蒸汽层的形成相关，如Lum-Chandler-Weeks理论所预测的，这意味着孔隙的部分填充。
英文摘要：
Molecular Dynamics simulations of water confined in nanometer sized, hydrophobic channels show that water forms localized cavities for pore diameter ~ 2.0 nm. The cavities present non-spherical shape and lay preferentially adjacent to the confining wall inducing a peculiar form to the liquid exposed surface. The regime of localized cavitation appears to be correlated with the formation of a vapor layer, as predicted by the Lum-Chandler-Weeks theory, implying partial filling of the pore.
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