通过电解碳去除抗生素的实验和理论研究:统计物理建模和DFT计算
Ismahene Ben Khemis1, Abir Sagaama1, Fatma Aouaini2
1Laboratory of Quantum and Statistical Physics LR 18 ES 18, Faculty of Sciences of Monastir, Environnement Street, 5019 Monastir, Tunisia.
Langmuir : the ACS journal of surfaces and colloids
|November 11, 2025
概括
这项研究使用了统计物理学和DFT来了解电解碳如何从水中去除抗生素阿莫西西林 (AXC) 和硫黄胺 (SCP). 结果显示温度依赖的物理吸附,在温度升高时吸附率更高.
科学领域:
- 环境化学环境化学
- 材料科学 材料科学 材料科学
- 物理化学 物理化学
背景情况:
- 废水中的抗生素残留物对环境和健康构成重大风险.
- 传统的废水处理通常在去除这些污染物方面效率低下.
- 先进的水解毒方法对于环境保护至关重要.
研究的目的:
- 研究使用电解碳 (EC) 从水溶液中去除阿莫西西林 (AXC) 和硫黄胺 (SCP).
- 用统计物理学和密度函数理论 (DFT) 在微观水平上解释吸附机制.
- 为了评估温度对吸附过程的影响.
主要方法:
- 应用统计物理建模 (真实气体和理想气体单层模型).
- 使用密度函数理论 (DFT) 进行显微解释.
- 在不同温度 (25-55°C) 下对抗生素在EC上吸附的实验分析.
主要成果:
- 吸附能力范围为AXC的49.58-65.87毫克/克,SCP的33.28-71.52毫克/克.
- 吸附性能取决于温度,随着温度的增加而增加.
- 立体分析表明多分子吸附机制与聚合.
- 能量分析证实了物理吸收和外热过程.
结论:
- 电解碳通过物理吸收有效地从水中去除AXC和SCP.
- 吸附过程在更高的温度下更受欢迎.
- 统计物理学和DFT都提供了对吸附机制的一致解释,在高温下具有更高的EC-SCP相互作用.
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