基功能组对Pb0,PbO和PbCl2在碳质表面上的吸附的影响
Liang Wang1, Huaizhou Wen2, Lei Guo1
1China Power Hua Chuang (Suzhou) Electricity Technology Research Company Co., Ltd., Suzhou 215125, China.
Molecules (Basel, Switzerland)
|January 26, 2024
概括
功能化显著提高了活性碳的功能.
科学领域:
- 环境化学环境化学
- 材料科学 材料科学 材料科学
- 计算化学的计算化学
背景情况:
- 城市固体废物 (MSW) 的焚烧会将有毒的 (Pb) 释放到环境中.
- 活性炭 (AC) 注入是有效的烟气除.
- 修改AC可以提高其吸附能力.
研究的目的:
- 研究功能化碳表面上的吸附机制.
- 确定的功能群对吸附能力的影响.
- 阐明特定结构在捕获中的作用.
主要方法:
- 密度函数理论 (DFT) 的计算.
- 对Pb物种 (Pb0,PbO,PbCl2) 的吸附能量的分析.
- 静电电位和状态密度分析.
主要成果:
- 与未经修改的表面相比,的功能组显著增加了吸附能量.
- 用装饰的表面上的吸附能量在-526.18~288.31kJ/mol之间.
- 酸原子增强了电荷分布和轨道杂交,以改善捕获.
结论:
- 的功能组对于增强活性炭上的吸附至关重要.
- DFT计算提供了关于与碳相互作用的机制性见解.
- 这项研究支持开发高效的生物质衍生ACs来去除.
相关概念视频
Extraction: Advanced Methods
447
Metal ions can be separated from one another by complexation with organic ligands–the chelating agent– to form uncharged chelates. Here, the chelating agent must contain hydrophobic groups and behave as a weak acid, losing a proton to bind with the metal. Since most organic ligands used in this process are insoluble or undergo oxidation in the aqueous phase, the chelating agent is initially added to the organic phase and extracted into the aqueous phase. The metal-ligand complex is...
447
Colloidal precipitates
582
The high insolubility of some precipitates can result in an unfavorable relative supersaturation. This can lead to colloidal particles with a large surface-to-mass ratio, where adsorption is promoted. For instance, in the precipitation of silver chloride, silver ions are adsorbed on the surface of the colloidal particles, forming a primary layer. This layer attracts ions of opposite charge (such as nitrate ions), forming a diffuse secondary layer of adsorbed ions. This electric double layer...
582


