Molecular Simulation of Adsorption Characteristics of Pb2+and Zn2+in Modified Kaolinite
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.
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