Water cluster growth in hydrophobic solid nanospaces.
Water cluster growth in hydrophobic solid nanospaces.
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DOI：
10.1002/chem.200400918
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发表时间：
2005-08
期刊：
影响因子：
--
通讯作者：
T. Ohba;H. Kanoh;K. Kaneko
中科院分区：
文献类型：
--
作者：
T. Ohba;H. Kanoh;K. Kaneko
通过原位小角x射线散射（SAXS）研究和大正则蒙特卡罗（GCMC）模拟，在293-313 K下清楚地阐明了碳纳米孔中水团簇的生长机制。在相对压力（P/P(0)）为0.5的情况下，水分子在疏水纳米孔中相互隔离。当P/P(0)=0.6时，水分子相互结合形成约0.6 nm大小的团簇，并伴有这些团簇的显著聚集。碳纳米孔的完全填充在P/P(0)=0.8左右完成。SAXS谱的相关长度分析提出了这些水团簇的生长机制，而0.6 nm的临界团簇尺寸的存在使得疏水纳米孔中的水分子团簇非常稳定。一旦在疏水纳米孔中形成临界尺寸的簇，主要的水吸附开始填充碳纳米孔。
The growth mechanism of water clusters in carbon nanopores is clearly elucidated by in situ small-angle X-ray scattering (SAXS) studies and grand canonical Monte Carlo (GCMC) simulations at 293-313 K. Water molecules are isolated from each other in hydrophobic nanopores below relative pressures (P/P(0)) of 0.5. Water molecules associate with each other to form clusters of about 0.6 nm in size at P/P(0)=0.6, accompanied by a remarkable aggregation of these clusters. The complete filling of carbon nanopores finishes at about P/P(0)=0.8. The correlation length analysis of SAXS profiles leads to the proposal of a growth mechanism for these water clusters and the presence of the critical cluster size of 0.6 nm leads to extremely stable clusters of water molecules in hydrophobic nanopores. Once a cluster of the critical size is formed in hydrophobic nanopores, the predominant water adsorption begins to fill carbon nanopores.