The investigation of ion association characteristics in lanthanum acetate solution using density functional theory and molecular dynamics simulations
In this study, DFT and MD simulations were used to investigate the structure and evolution of lanthanum acetate hydrated clusters and the microscopic influence of organic ammonium leaching agents on rare-earth hydration clusters.
Authors
- Fang Zhou (ORCID: https://orcid.org/0000-0002-0113-054X)
- Ruan Chi (ORCID: https://orcid.org/0000-0002-1046-7320)
- Lian Zou (ORCID: https://orcid.org/0000-0001-9090-1782)
- Can Li (ORCID: https://orcid.org/0000-0002-0148-8533)
- Yang Si (ORCID: https://orcid.org/0000-0001-7209-6206)
- Yuefei Zhang (ORCID: https://orcid.org/0000-0002-2684-7395)
- Wen Fang
Institutions
- Wuhan University (CN)
- Wuhan Institute of Technology (CN)
Publication Details
- Journal
- New Journal of Chemistry
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5nj01601k
- Primary Topic
- Chemical and Physical Properties in Aqueous Solutions
- Type
- article
- Field-Weighted Citation Impact
- 0.00