用于膜应用的交叉链接共价有机框架的计算定向操纵
Alathea E Davies1, Michael J Wenzel1, Cailin L Brugger1
1Department of Chemistry, University of Wyoming, Laramie, WY 82071, USA. laura.desousaoliveira@uwyo.edu.
Physical chemistry chemical physics : PCCP
|November 10, 2023
概括
与六黄化 (HFG) 交联的二维共价有机框架 (2D-COF) 通过防止胀,增强了膜的稳定性和选择性. 这项研究证实了交叉链接.
科学领域:
- 材料科学 材料科学 材料科学
- 化学工程是化学工程的重要组成部分.
- 纳米技术 纳米技术
背景情况:
- 二维共价有机框架 (2D-COFs) 为膜应用提供可调节的孔隙性和稳定性.
- 膜湿会导致2D-COFs的胀,通过允许分子绕行而降低分离效率.
- 交叉链接是一种抑制胀和增强膜选择性的策略.
研究的目的:
- 通过计算模型和实验合成交叉链接的2D-COF,以提高膜性能.
- 调查基于酸的COF与酸 (OC) 和酸 (HFG) 交联的热力学优势性和稳定性.
- 描述合成的HFG交联COF并评估其膜性质.
主要方法:
- 计算建模用于形成的和凝聚性能量计算.
- 合成基于诺素的COF与HFG交叉连接.
- 使用FTIR,XRD,TGA-DSC和水接触角测量的表征.
- 膜的制造和透性测试.
主要成果:
- 计算模型预测了热力学上有利和稳定的COF形成.
- 实验数据证实合成的HFG-COF.中存在交叉链接.
- 不同的HFG度并没有改变交叉链接的程度.
- 计算模型显示,交联度对稳定性的影响微不足道.
结论:
- 交叉连接是提高2D-COF膜的稳定性和选择性的有效策略.
- 合成的HFG交叉连接的COF显示了高级膜应用的潜力.
- 进一步了解2D-COF中的交叉链接可以优化膜技术.
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