摘要
通过焙烧隔氧活化处理制备了一种浮选尾煤基吸附剂并将其用于去除水中的Cr(Ⅵ),探讨了反应温度对吸附效果的影响,采用巨正则蒙特卡罗模拟与分子动力学模拟方法,模拟了Cr(Ⅵ)在浮选尾煤吸附剂表面的吸附过程以及吸附机理。结果表明:尾煤基吸附剂对水中Cr(Ⅵ)有较好的吸附效果,反应温度为45℃时去除率可达97.13%。随着温度的升高,浮选尾煤吸附剂(001)面对Cr(Ⅵ)的平均吸附量均有增加。Cr(Ⅵ)在浮选尾煤吸附剂(001)面的吸附位作用既有化学吸附,也有物理吸附。浮选尾煤吸附剂表面的硅氧四面体氧原子为Cr(Ⅵ)活性的吸附位点,温度的升高有利于Cr(Ⅵ)在浮选尾煤吸附剂(001)面的化学作用,而温度的升高不利于物理吸附作用,同时水分子的存在使得其与Cr(Ⅵ)存在竞争吸附现象。
This paper prepared a flotation tailings based adsorbent through calcination and oxygen separation activation treatment and used it to remove Cr(Ⅵ)from water.The influence of reaction temperature on adsorption efficiency was explored.The adsorption process and mechanism of Cr(Ⅵ)on the surface of flotation tailings adsorbent were simulated using grand canonical Monte Carlo simulation and molecular dynamics simulation methods.The results show that the tail coal based adsorbent has a good adsorption effect on Cr(Ⅵ)in water,and the removal rate can reach 97.13%at a reaction temperature of 45℃.As the temperature increases,the average adsorption capacity of the flotation tailings adsorbent(001)towards Cr(Ⅵ)increases.The adsorption site of Cr(Ⅵ)on the adsorbent(001)surface of flotation tailings involves both chemical and physical adsorption.The silicon oxygen tetrahedral oxygen atoms on the surface of the flotation tailings adsorbent are active adsorption sites for Cr(Ⅵ).The increase in temperature is conducive to the chemical interaction of Cr(Ⅵ)on the flotation tailings adsorbent(001)surface,while the increase in temperature is not conducive to physical adsorption.At the same time,the presence of water molecules makes it competitive with Cr(Ⅵ)for adsorption.
作者
段中川
杨树蓉
王斌
陈玲
张伟刚
DUAN Zhongchuan;YANG Shurong;WANG Bin;CHEN Ling;ZHANG Weigang(School of Resources and Environmental Engineering,Lanzhou Petrochemical University of Vocational Technology,Lanzhou 730060,China)
出处
《兰州石化职业技术大学学报》
2025年第2期17-25,共9页
Journal of Lanzhou Petrochemical University of Vocational Technology
基金
甘肃省教育厅高校教师创新基金项目(2025B-318)
兰州石化职业技术大学科研项目(2023KY-05)。
关键词
浮选尾煤
吸附剂
分子模拟
Cr(Ⅵ)
吸附机理
flotation tailings
adsorbent
molecular simulation
Cr(Ⅵ)
adsorption mechanism
