Pb2+、Zn2+在改性高岭石中吸附特性的分子模拟
Molecular Simulation of Adsorption Characteristics of Pb2+and Zn2+in Modified Kaolinite
陈少航 1房晓红 2曾凡桂 3李晓俊1
作者信息
- 1. 太原理工大学 地球科学与工程系,山西 太原 030024
- 2. 太原理工大学 地球科学与工程系,山西 太原 030024;太原理工大学 新材料界面科学与工程教育部重点实验室,山西 太原 030024
- 3. 太原理工大学 地球科学与工程系,山西 太原 030024;太原理工大学 煤与煤系气地质山西省重点实验室,山西 太原 030024
- 折叠
摘要
这是一篇矿业工程领域的论文.为了探究重金属Pb2+和Zn2+在高岭石-尿素插层复合体中的吸附机理,采用分子模拟的技术,在268、283、298 K和恒压0.1 MPa的条件下,分别在Pb2+、Zn2+的单一体系和共存体系中进行模拟计算.结果表明:单独对Pb2+、Zn2+吸附时,吸附量都随温度的升高而降低,等量吸附热也具有同样的趋势,吸附量和等量吸附热均为Pb2+＞Zn2+,自扩散系数随温度的增加而增加,且Zn2+＞Pb2+;在竞争吸附中,变化规律与单独吸附一致,且Pb2+、Zn2+的吸附量和等量吸附热均小于单独吸附时的值,自扩散系数均大于单独吸附时的值,说明两者之间存在竞争吸附行为.
Abstract
This is an article in the field of mining engineering.In order to explore the adsorption mechanism of heavy metal ions Pb2+and Zn2+in kaolinite urea intercalation complex,molecular simulation was used to simulate Pb2+and Zn2+in single system and coexistence system at 268,283,298 K under constant pressure of 0.1 MPa.The results showed that when Pb2+and Zn2+were adsorbed separately,the adsorption capacity decreased with the increase of temperature,and the isosteric adsorption heat also had the same trend.The adsorption capacity and isosteric adsorption heat were Pb2+＞Zn2+,and the self diffusion coefficient increased with the increase of temperature,and Zn2+＞Pb2+;In the competitive adsorption,the change law was consistent with that of single adsorption,the adsorption capacity and isotherm of Pb2+and Zn2+were lower than those of the single adsorption,and the self diffusion coefficient was higher than that of the single adsorption,which indicated that there was competitive adsorption between them.
关键词
矿业工程/高岭石-尿素插层复合体/模拟计算/单独吸附/竞争吸附Key words
Mining engineering/Kaolinite urea intercalation complex/Simulation calculation/Adsorption alone/Competitive adsorption引用本文复制引用
出版年
2024
国家科技期刊平台
NSTL
万方数据