用ZnCl2激活的氧化石墨烯和纳米孔状石墨烯对挥发性有机化合物的优化吸附:一个综合实验和计算研究
Tahereh Zafari1, Soheila Sharafinia2, Alimorad Rashidi3
1Department of Chemical Engineering, Saveh Islamic Azad University Iran.
Nanoscale advances
|September 2, 2025
概括
与氧化石墨烯 (GO) 相比,纳米孔状石墨烯 (NPG) 具有更高的挥发性有机化合物 (VOC) 吸附能力,因此非常适合用于汽油蒸汽捕获. DFT计算证实了NPG的存在
科学领域:
- 材料科学
- 环境科学
- 纳米技术
背景情况:
- 挥发性有机化合物 (VOC) 存在环境和健康风险.
- 石墨烯氧化物 (GO) 和纳米孔状石墨烯 (NPG) 是吸附应用的有希望的材料.
- 需要有效的吸附材料来捕获VOC,特别是汽油蒸汽.
研究的目的:
- 为了比较合成的石墨烯氧化物 (GO) 和纳米孔状石墨烯 (NPG) 对汽油蒸汽的吸附能力.
- 研究合成参数对NPG特性和性能的影响.
- 通过密度函数理论 (DFT) 的计算来阐明吸附机制.
主要方法:
- 通过改进的汉默斯方法合成GO.
- 使用化学蒸汽沉积 (CVD) 与和氧化合成NPG.
- 使用XRD,FT-IR,拉曼,FE-SEM,TEM和BET进行表征.
- 汽油蒸汽吸附实验和DFT计算.
主要成果:
- 用ZnCl2激活合成的NPG (NPG2) 的表面积为181.61 m2g-1.
- NPG2表现出最高的VOC吸附能力 (559 mgg-1),显著超过GO和其他NPG样品.
- 所有样品的吸附动力是快速的,在35分钟内达到最大容量.
- DFT的计算表明,增加NPG的孔径增强了吸附强度,NPG在异布吸附方面优于GO.
结论:
- 纳米孔状石墨烯 (NPG),特别是NPG2样本,是汽油蒸汽吸附的高效材料.
- NPG 的优异性能归因于 π-π 相互作用.
- 吸附过程在热力学上是有利的,表明可用于VOC去除的实际应用.
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