Surface-Controlled Water Flow in Nanotube Membranes
Surface-Controlled Water Flow in Nanotube Membranes
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DOI：
10.1021/acsami.8b18532
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发表时间：
2019-01-09
影响因子：
9.5
通讯作者：
Mattia, Davide
中科院分区：
文献类型：
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作者：
Casanova, Serena;Borg, Matthew K.;Mattia, Davide
本文首次通过合成新型氮化碳纳米管（CNNT）膜，证明了纳米尺度限制下纳米管表面化学和结构对水流动的独立影响。使用实验和高保真分子动力学（MD）模拟的组合，它是在这里显示的sp（2）碳结构，诱导的C-N键的存在下，降低了纯水的渗透性，在CNNTs相比，原始和乱层碳纳米管（CNT）。MD模拟是基于真实的合成纳米管的化学结构的模型，建立从光谱测量和校准电位使用液滴实验。渗透率的影响被解释在水的粘度和降低的表面扩散附近的碳纳米管壁的固液相互作用，相比，碳纳米管。提出了一个直接将固液相互作用与水渗透率联系起来的模型，该模型与实验和MD模拟结果吻合良好。这项工作开辟了一条道路，定制表面化学和结构内的纳米管膜的广泛的运输和分离过程。
The independent effect of nanotube surface chemistry and structure on the flow of water under nanoscale confinement is demonstrated in this paper for the first time via the synthesis of novel carbon nitride nanotube (CNNT) membranes. Using a combination of experiments and high-fidelity molecular dynamics (MD) simulations, it is shown here that the hydrophilization of the sp(2) carbon structure, induced by the presence of the C-N bonds, decreases the pure water permeance in CNNTs when compared with pristine and turbostratic carbon nanotubes (CNTs). The MD simulations are based on a model true to the chemical structure of the synthesized nanotubes, built from spectroscopy measurements and calibrated potentials using droplet experiments. The effect on permeance is explained in terms of solid liquid interactions at the water viscosity and decreased surface diffusion near the CNNT wall, when compared to CNTs. A model directly linking the solid liquid interactions to the water permeance is presented, showing good agreement with both experiments and MD simulations. This work opens the way to tailoring surface chemistry and structure inside nanotube membranes for a wide range of transport and separation processes.