相关实验视频

Updated: Jun 27, 2026

Preparation of Biomass-based Mesoporous Carbon with Higher Nitrogen-/Oxygen-chelating Adsorption for CuII Through Microwave Pre-Pyrolysis

Preparation of Biomass-based Mesoporous Carbon with Higher Nitrogen-/Oxygen-chelating Adsorption for CuII Through Microwave Pre-Pyrolysis

Published on: February 12, 2019

用TiO2修饰的活性炭去除制药污染物:使用密度函数理论的实验和in-silico见解

Fidèle Suanon^1,2,3,4, Wilfried G Kanhounnon³, Jean Wilfried Hounfodji³

¹CAS Key Laboratory of Urban Pollutant Conversion, Fujian Key Laboratory of Watershed Ecology, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen, 361021 China.

Journal of environmental health science & engineering

|November 17, 2025

概括

用二氧化修改的活性炭 (TiO2-AC) 有效地从水中去除新出现的污染物. 这种可持续吸附剂显示出高效率,特别是在阳光下,为水污染提供了一个有希望的解决方案.

科学领域:

环境化学环境化学
材料科学材料科学材料科学
水处理技术水处理技术

背景情况:

新出现的污染物 (ECs) 对水质构成重大威胁,需要先进的清除策略.
活性炭 (AC) 是一种常见的吸附剂,但它对某些EC的效率可能是有限的.
开发具有成本效益和可持续的材料对于减轻水污染至关重要.

研究的目的:

为了评估TiO2-修改AC在从水中去除各种EC的有效性.
通过实验和in silico (DFT) 方法研究吸附机制.
为了评估TiO2结合和阳光对吸附性能的影响.

主要方法:

使用未经修改和TiO2-修改的AC进行实验性吸附研究.
在基于密度函数理论 (DFT) 的in silico分子建模.
吸附动力学,异热量,表面积,孔隙体积和功能组 (FTIR) 的分析.

主要成果:

没有修改的AC显示了中度的EC去除 (44-82%).
使用TiO2修饰的交流与阳光实现了高清除效率 (93-99.9%).
吸附遵循兰格穆尔模型,表明单层化学吸附,受污染物的疏水性影响.

结论:

修改TiO2的AC是一种高效和可持续的吸附剂,用于制药EC.
DFT和FTIR阐明了驱动吸附的关键相互作用 (H结合,VDW,电荷转移).
这种材料为先进的净水挑战提供了切实可行的解决方案.

关键词:

密度函数理论 (DFT) 是一种密度函数理论.新出现的污染物新出现的污染物药物吸附吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附药物吸附 TiO2 活性炭活性炭处理水处理水处理水处理

更多相关视频

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

Published on: February 1, 2020

相关概念视频

Adsorption Isotherms I

Adsorption Isotherms I

Adsorption isotherms are mathematical models that describe how molecules in a gas or liquid phase interact with surfaces. Two of the most common isotherm models are the Langmuir and Freundlich isotherms, which relate to Type I monolayer chemisorption. The Langmuir model is based on four key assumptions:• Adsorption cannot exceed monolayer coverage.• All surface sites are equivalent.• Molecules adsorb only at vacant sites.• There are no interactions between adsorbed molecules.Consider the...

Adsorption Isotherms II

Adsorption Isotherms II

Brunauer, Emmett, and Teller (BET) introduced a theory in 1938 that modified Langmuir's assumptions to explain multilayer physical adsorption. This theory is applicable to Type II isotherms and provides a more realistic picture of adsorption processes. The BET theory assumes a uniform solid surface with localized adsorption sites, where adsorption at one site doesn't affect adsorption at neighboring sites. This theory also allows for the possibility of additional molecules being adsorbed on top...