平面组在金属有机框架中的准离散孔的功能化,用于模拟移动床过程中的增强异构分离
Zhe Chu1, Jiaqi Li1, Fuqiang Chen1
1Key Laboratory of Biomass Chemical Engineering of ministry of Education, College of Chemical and Biological Engineering, Zhejiang University, 866 Yuhangtang Road, Hangzhou 310058, P. R. China.
ACS central science
|October 28, 2024
概括
工程金属有机框架 (MOF) 增强了4-甲基-1- (4MP1) 与异构体的分离. 经过修改的ZIF-108显示出卓越的选择性和更快的动力学,用于高效的工业净化.
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.
- 分离科学 分离科学
背景情况:
- 从结构异构体中有效地分离4-甲基-1- (4MP1) 对工业至关重要.
- 同类异构体的相似物理化学性质带来了重大的分离挑战.
研究的目的:
- 开发一个改进的金属有机框架 (MOF) 来增强4MP1分离.
- 为了研究选择性吸附的修改MOF的结构-属性关系.
主要方法:
- 通过将甲基组替换为基组,合成了一种工程ZIF-108 MOF.
- 用密度函数理论 (DFT) 和分子动力学 (MD) 模拟来进行表征.
- 使用模拟移动床 (SMB) 过程评估分离性能.
主要成果:
- 工程ZIF-108表现出对4MP1的增强分子亲和力和选择性.
- 与ZIF-8相比,扩散率增加了164倍.
- 在中小企业的工艺中,高纯度4MP1的回收率达到了96.5%.
结论:
- 对MOF孔结构的战略性修改显著提高了分离效率.
- 工程ZIF-108为工业4MP1净化提供了传统吸附剂的有希望的替代品.
- MOF设计是优化复杂混合物分离的可行策略.
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