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What is the Behavior of Metal Ions in Soil?
−Investigation by Molecular-Scale Simulations and Experiments−


Fig.1 Investigation of molecular-scale adsorption structures of metal ions is important for the understanding and predicting of their behavior

Fig. 1 Investigation of molecular-scale adsorption structures of metal ions is important
for the understanding and predicting of their behavior


 “How do ions behave in soil?” is an important question in many fields, including radioactive waste treatment. Among various soil minerals, clay minerals are particularly important.
 Until now, ion adsorption on clay minerals has been studied separately for ions, leading to a lack of systematic understanding. Therefore, we analyzed the adsorption behavior of various ions using molecular-level experiments and supercomputer simulations. We found that adsorption behavior can be understood systematically by focusing on two factors: “hydration energy” and “ionic radius.” Building on this finding, we predicted that radium, with its large ionic radius, would be strongly adsorbed on clay minerals. This prediction was confirmed by analyzing environmental soil samples. These results showed the applicability of the finding.
 Our finding can be widely applied for adsorption reaction on clay minerals. Therefore, the discovery advances our understanding of radionuclide behavior in soil and also contributes to other fields, such as resource exploration, planetary science (e.g., Mars and asteroids such as Ryugyu), and agricultural efficiency improvement.


Acknowledgements

This study was conducted as a joint project with the University of Tokyo and Osaka University, and supported by JSPS KAKENHI Grant Numbers JP19K23432, JP21H02090, JP21K18917, JP23K17034.


Author (Researcher) Information

Name | Akiko Yamaguchi
AI/DX Research and Development Office, Center for Computational Science & e-Systems

Reference

Yamaguchi, A. et al., Molecular Geochemistry of Radium: A Key to Understanding Cation Adsorption Reaction on Clay Minerals, Journal of Colloid and Interface Science, vol.661, 2024, p.317-332.

Paper URL: https://doi.org/10.1016/j.jcis.2024.01.120

Press Release: 大地の謎に迫る!土中に含まれる金属の秘密とは?−分子スケールのシミュレーションと観測が解き明かす土の性質− (in Japanese)

November 29, 2024

 Computational Science and e-Systems Research 

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