Differences in the dynamic behavior of Cd2+ on different clay mineral (001) surfaces under the effect of electric field

被引：0

作者：

Yan, Ke ^{[1
]}

Chai, Zhaoyun ^{[1
,2
]}

Li, Tianyu ^{[1
]}

Xiao, Chang ^{[1
]}

Li, Jian ^{[1
]}

Lian, Keqin ^{[1
]}

He, Lixia ^{[1
]}

机构：

[1] Taiyuan Univ Technol, Key Lab Insitu Property Improving Min, Minist Educ, Taiyuan 030024, Shanxi, Peoples R China

[2] 18 Xinkuangyuan Rd, Taiyuan, Shanxi, Peoples R China

来源：

APPLIED CLAY SCIENCE | 2024年 / 256卷

基金：

中国国家自然科学基金;

关键词：

Clay minerals; Electric field; Heavy metal pollution; Electrokinetic soil remediation; Molecular dynamics simulation; ELECTROKINETIC REMEDIATION; ION ADSORPTION; BASAL SURFACES; SIMULATION; CD(II); PB(II); SOIL; KAOLINITE; REMOVAL; NI(II);

D O I：

10.1016/j.clay.2024.107427

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：

Clay minerals, as filling materials for permeable reactive barriers, can be used for electrokinetic remediation of heavy metal-contaminated soils. In this study, molecular dynamics simulations were used to investigate the differences in the dynamic characteristics of heavy metal ions Cd2+ on the crystal surfaces of three clay minerals (001) under the action of an electric field. The micro-interaction mechanism between Cd2+ and clay minerals was revealed. The electric field changed the migration rate, hydration structure, and adsorption site distribution of Cd2+, which was favorable for soil remediation. Cd2+ is more inclined to interact with the montmorillonite surface under the action of the electric field. There is a correlation between the diffusion coefficient of Cd2+ and the coordination number of its hydrated shell layer. With the application of the electric field, the hydration capacity of Cd2+ was weakened, resulting in a decrease in its diffusion rate.

引用

页数：12