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在稀土元素中构成高石的结构

Sebastian T Mergelsberg¹, Alex J Kugler¹, Elaine D Flynn²

¹Pacific Northwest National Laboratory Richland Washington 99354 USA sebastian.mergelsberg@pnnl.gov eugene.ilton@pnnl.gov.

|August 27, 2025

概括

铁氧化物矿物中的稀土元素很难提取. 这项研究揭示了REEs可以通过质子铁空隙融入戈伊结构,从而影响其从离子吸附沉积物中提取.

科学领域:

地质化学
矿物学
材料科学

背景情况:

稀土元素对于现代技术至关重要.
在离子吸附沉积物 (IAD) 中,大量的REEs由氧化铁矿物质,主要是石,作为宿主.
由于被认为是结构上的合并,这些含有甲基的REEs通常被认为是不可提取的.

研究的目的:

研究REEs与其前体铁酸盐 (FH) 的原子级兼容性和结合机制.
了解铁氧化中可再生能源占用的能量优势和结构位置.
澄清铁氧化在地质过程中的REE分离中的作用.

主要方法:

探测局部原子结构的X射线对分布函数分析 (PDF).
扩展X射线吸收细结构 (EXAFS) 光谱以确定协调环境.
开始分子动力学 (AIMD) 模拟以建模EXAFS数据并探索纳入机制.

主要成果:

REE与石和FH的兼容性遵循Lu ≥ Yb ≫ Dy > Nd的趋势.
(Nd) 和 (Dy) 主要形成二次无形相,在有限的程度上被纳入去 (<30%).
(Lu) 和伊特尔 (Yb) 显著地融入了类似戈伊的结构,由质子化铁空隙和边缘共享配置促进.

结论:

这项研究阐明了REE融入石的原子尺度机制,挑战了以前关于简单替代的假设.
具有质子铁的空位和特定的协调环境是将Lu和Yb等更大的REEs容纳在石格子中的关键.
这种结合机制表明,在气候变化过程中发生REE分离,形成横岩和离子吸附沉积物.

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