反渗透
海水淡化
膜
沸石咪唑盐骨架
化学工程
化学
材料科学
阿累尼乌斯方程
分子动力学
化学物理
活化能
物理化学
计算化学
吸附
金属有机骨架
生物化学
工程类
作者
Zhongqiao Hu,Yifei Chen,Jianwen Jiang
摘要
A molecular simulation study is reported for water desalination in zeolitic imidazolate framework-8 (ZIF-8) membrane. The simulation demonstrates that water desalination occurs under external pressure, and Na(+) and Cl(-) ions cannot transport across the membrane due to the sieving effect of small apertures in ZIF-8. The flux of water permeating the membrane scales linearly with the external pressure, and exhibits an Arrhenius-type relation with temperature (activation energy of 24.4 kJ∕mol). Compared with bulk phase, water molecules in ZIF-8 membrane are less hydrogen-bonded and the lifetime of hydrogen-bonding is considerably longer, as attributed to the surface interactions and geometrical confinement. This simulation study suggests that ZIF-8 might be potentially used as a reverse osmosis membrane for water purification.
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