Comparative study of Zn(II) and Cd(II) ions adsorption on charged carbon nano tubes: molecular dynamics approach

被引：5

作者：

Dezfoli, A. R. Ansari ^{[1
]}

Mehrabian, M. A. ^{[1
]}

Hashemipour, H. ^{[2
]}

机构：

[1] Shahid Bahonar Univ Kerman, Dept Mech Engn, Kerman, Iran

[2] Shahid Bahonar Univ Kerman, Dept Chem Engn, Kerman, Iran

来源：

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY | 2013年 / 19卷 / 06期

关键词：

Molecular dynamics simulation; Adsorption; Zinc ion; Cadmium ion; Carbon nanotubes; SOLID-PHASE EXTRACTION; AQUEOUS-SOLUTION; METAL IONS; NANOTUBES; REMOVAL; CADMIUM(II); SIMULATIONS; ZINC(II);

D O I：

10.1007/s10450-013-9567-7

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A comparative study was performed on adsorption process of Zn(II) and Cd(II) ions using charged carbon nano tubes (CNTs). The results show that the adsorption behavior of Zn(II) and Cd(II) ions have different patterns. To understand the reason for this difference, the ion-water complex properties and the reduced density of water around CNT were studied. The results reveal that the water molecules make high-, low-, and bulk regions around CNTs, which can affect the ion movement toward CNT. The ion-water complex characteristics during the adsorption demonstrated that the Cd(II)-water complex has a large number of exchange events between 4 and 8 coordinate numbers where Zn(II) has only 6 coordinate numbers during the adsorption process. The Cd(II)-water complex was found less stable and therefore has faster translational dynamics. These properties help cadmium ion to be adsorbed faster into CNT despite its heavier weight.

引用

页码：1253 / 1261

页数：9

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