选择性功能化二氧化吸附剂的合理设计,用于从FGD废水中去除Hg. 一个结合实验和理论研究的研究
Alma Malibekova1, Vadim Guliants1
1Department of Chemical and Environmental Engineering, University of Cincinnati, Cincinnati, OH 45221, USA. vadim.guliants@uc.edu.
Physical chemistry chemical physics : PCCP
|August 23, 2023
概括
墨卡功能化有效地与离子 (Hg2+) 结合. 受孔结构和度影响的吸附机制遵循兰格穆尔模型,表明有效的去除策略.
科学领域:
- 材料科学 材料科学 材料科学
- 环境化学环境化学
- 物理化学 物理化学
背景情况:
- (Hg2+) 的污染对环境和健康构成重大风险.
- 开发有效的吸收剂去除对于环境修复至关重要.
- 基于的材料为吸附剂设计提供可调节的特性.
研究的目的:
- 为了研究离子 (Hg2+) 通过具有不同物理特征的墨卡功能化的结合.
- 探索孔结构对功能化和Hg2+吸附动力学的影响.
- 用实验和理论方法阐明Hg2+吸附的机制.
主要方法:
- 使用mercaptan功能化的实验性吸附研究.
- 使用密度函数理论 (DFT) 进行理论计算.
- 吸附动力学和异热量数据的分析.
主要成果:
- 默卡普坦功能化石证实了有效的Hg2+结合.
- 孔结构影响功能化和吸附动力学.
- DFT计算揭示了同时发生的单牙和双牙Hg2+复合体形成,取决于Hg2+的度.
- 理论上的吸附异热体遵循兰格穆尔模型,尽管吸附点异质.
结论:
- 默卡普坦功能化是一种有前途的吸收剂,用于去除.
- 吸附机制涉及与硫的功能组复合.
- 兰穆尔模型准确地描述了Hg2+吸附,简化了除系统的设计.
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