多种DEHP-提取剂与散装水中的Er3+以及液体-液体接口上的Er3+结合
Trung Vo1, Ilan Benjamin2, Mark L Schlossman1
1Department of Physics, University of Illinois Chicago, Chicago, Illinois 60607, United States.
The journal of physical chemistry. B
|January 8, 2026
概括
通过溶剂提取来分离稀土元素的方法是通过了解与Er3+结合的二甲基酸 (DEHP) 来推进的. 接口DEHP结合至关重要,第三个DEHP在接口上与Er3+结合的可能性明显低于散装水中的可能性.
科学领域:
- 化学工程是化学工程的重要组成部分.
- 材料科学 材料科学 材料科学
- 物理化学 物理化学
背景情况:
- 溶剂提取对于稀土元素 (REE) 的分离和净化至关重要.
- 了解提取剂与REEs的结合机制对于优化这一过程至关重要.
研究的目的:
- 研究二甲基酸 (DEHP) 与离子 (Er3+) 的结合结构和动态.
- 为了比较DEHP与散装水中的Er3+的结合行为与水-多德干接口.
主要方法:
- 使用了古典分子动力学 (MD) 模拟.
- 分析包括辐射分布函数和平均力计算的潜力.
主要成果:
- 液化中的Er-O和Er-P分离在散装和界面模拟中是相似的.
- 绑定动态对于散装和接口事件都是快速的.
- 在接口上,第三个DEHP与Er3+结合的概率比前两个DEHP分子或散装水结合的概率要低一个数量级.
结论:
- 在溶剂提取过程中,DEHP与Er3+的界面结合是主要的因素.
- 在接口上第三个DEHP结合的减少概率表明了固态或能量限制.
- 这些发现为优化REEs的溶剂提取过程提供了洞察力.
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