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Water transport through functionalized CNTs determined by molecular simulation

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Research Data Australia2024-12-21 收录
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https://researchdata.edu.au/water-transport-functionalized-molecular-simulation/445976
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资源简介:
This dataset contains the data generated from molecular dynamics simulations of carbon nanotubes (CNTs) with functionalized terminations. The behaviour of both water and salt ions (sodium and chloride) at and through the CNTs have been analysed. The simulations were performed using the iVEC facilities.
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Curtin University
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