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从水溶液中通过Na₃FePO₄CO₃选择性吸附Sr(II):实验和DFT研究

Yudong Xie¹, Xiaowei Wang¹, Jinfeng Men¹

¹College of Nuclear Science and Technology, Naval University of Engineering, Wuhan 430033, China.

Molecules (Basel, Switzerland)

|June 27, 2024

概括

Na3FePO4CO3 (NFPC) 有效地将离子 (Sr2+) 从低水平放射性液体废物 (LLRW) 中分离出来. 这种新型材料具有很高的选择性和效率,这对于核废物管理和安全协议至关重要.

科学领域:

材料科学材料科学材料科学
环境化学环境化学
核工程核工程是指核工程.

背景情况:

从低水平放射性液体废物 (LLRW) 中有效分离放射性核酸对于核安全和废物减少至关重要.
(Sr2+) 是LLRW中的重要污染物,需要有效的去除策略.

研究的目的:

合成Na3FePO4CO3 (NFPC) 用于从模拟的LLRW中选择性分离Sr2+.
评估NFPC对Sr2+去除的吸附性能和机制.

主要方法:

一个的水热合成Na3FePO4CO3 (NFPC).
静态吸附实验以确定分布系数 (K) 和去除效率.
动力和同热模拟 (伪二次和兰格穆尔).
特性分析和密度函数理论 (DFT) 计算用于机制阐明.

主要成果:

即使在高度的干扰离子中,NFPC也表现出一个分布系数 (K) > 5000mL·g-1.
在广泛的pH范围 (4-9) 中保持了高的Sr2+去除效率.
吸附后是伪二次动力学和兰迈尔异温,最大容量为99.6mg·g-1.
DFT的计算显示,离子交换和Sr-O债券形成是关键机制.

结论:

NFPC是一种高度选择性和高效的吸附剂,用于从LLRW中去除Sr2+.
该材料在各种条件下的稳定性和性能使其在实际应用中具有前景.
了解吸附机制为设计先进的放射性核化物吸附剂提供了洞察力.

关键词:

在 DFT 方面,它是最重要的.这就是Na3FePO4CO3的含量.吸附吸附是一种吸附.这些机制的机制.是的组成部分.

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