Carbon nanotubes as adsorbents for uranyl ions from aqueous solutions: A molecular dynamics study

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• 作者：M. Druchok ; ^{maksym@icmp.lviv.ua} ; M. Holovko ^{holovko@icmp.lviv.ua}
• 关键词：Molecular dynamics ; Carbon nanotubes ; Uranyl aqueous solutions ; Adsorption
• 刊名：Journal of Molecular Liquids
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：228
• 期：Complete
• 页码：208-214
• 全文大小：1466 K
• 卷排序：228

文摘

The study probes functionalized carbon nanotubes as adsorbents for uranyl from water. Protonated and deprotonated carboxyl groups and their placement are studied. Deprotonated groups readily associate with uranyls, contrary to protonated ones. The split placement of the groups is more efficient than the dense formation.