化二维共价有机框架具有选择性C2H4/C3H6分离的hcb拓
Jialiang Liu1, Xinyu Luo1, Sen Wang1
1College of Materials Science and Engineering, Science and Education Integration College of Energy and Carbon Neutralization, Zhejiang University of Technology, Hangzhou 310014, China. panjun0123@zjut.edu.cn.
新的化共价有机框架 (COF) 有效地将乙烯与分离. 在TpTf-COF中含有较高的含量提高了关键的聚合物生产应用的选择性.
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:
- 乙烯 (C2H4) 和烯 (C3H6) 的有效分离对于聚合物生产至关重要.
- 低温蒸耗费大量能源;多孔材料提供了一个可持续的替代方案.
- 化框架显示出因可调节的极性而具有选择性气体吸附的潜力.
研究的目的:
- 合成和评估用于选择性C2H4/C3H6分离的新型二维共价有机框架 (COF).
- 为了研究化对COF在气体分离中的性能的影响.
- 了解主机-客户互动控制分离选择性.
主要方法:
- 通过 [3+3] imine 凝结合成两种异构二维 COF (TpDf-COF 和 TpTf-COF) 的合成,具有 hcb 拓.
- 气体吸附测量和理想吸附溶液理论 (IAST) 的计算.
- 大法典蒙特卡罗 (GCMC) 模拟探测吸附机制.
主要成果:
- 含有较高含量的TPTf-COF在298K和1bar时实现了IAST对C2H4/C3H6的9.14的选择性.
- TpDf-COF的选择性为6.57,这表明TpTf-COF的性能优越.
- 在GCMC模拟中,增加孔极性和更强的C-HF相互作用被确定为增强选择性的关键因素.
结论:
- 化显著提高了COF在C2H4/C3H6分离中的性能.
- TpTf-COF显示出作为工业气体分离的节能材料的有前途潜力.
- 通过化量身定制毛孔极性和宿主-客人相互作用是设计先进分离材料的可行策略.
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