@article{7717e4f45c024cee8b09cbb97c9c3b26,
title = "Separation of propylene and propane with a microporous metal–organic framework via equilibrium-kinetic synergetic effect",
abstract = "Adsorption separation of olefin and paraffin can greatly lower the energy consumption associated with the currently utilized distillation technique but remains a great challenge. Herein, we report the efficient separation of propylene (C3H6) and propane (C3H8) in a phosphate anion-functionalized metal–organic framework (MOF) ZnAtzPO4 by synergetic effect of equilibrium and kinetics. The material features periodically expanded and contracted apertures decorated with electronegative groups, offering eligible pore shape and pore chemistry to effectively trap C3H6 under moderate isosteric heat of adsorption (27.5 kJ mol−1) while obstruct the diffusion of C3H8. It simultaneously combines excellent thermodynamic selectivity (uptake ratio of 1.71) and kinetic selectivity (~31) for C3H6/C3H8 separation, meanwhile can be easily regenerated. Breakthrough experiment for C3H6/C3H8 gas mixture was conducted and confirmed the outstanding separation capability of ZnAtzPO4. The equilibrium and kinetics cooperative C3H6/C3H8 adsorption separation was for the first time found in anion-functionalized MOFs, and further confirmed by computational studies.",
keywords = "adsorption, kinetic separation, metal–organic framework, molecular dynamic simulation, propylene",
author = "Qi Ding and Zhaoqiang Zhang and Cong Yu and Peixin Zhang and Jun Wang and Liyun Kong and Xili Cui and He, {Chao Hong} and Shuguang Deng and Huabin Xing",
note = "Funding Information: National Natural Science Foundation of China, Grant/Award Numbers: 21725603, 21808178, 21938011; the National Program for Support of Top‐notch Young Professionals, Grant/Award Number: H. X.; the Zhejiang Provincial Natural Science Foundation of China, Grant/Award Number: LR20B060001 Funding information Funding Information: This work was supported by the Natural Science Foundation of China (No. 21938011, 21725603, and 21808178), the Zhejiang Provincial Natural Science Foundation of China (No. LR20B060001), the National Program for Support of Top‐notch Young Professionals (H. X.) and the Research Computing Center in College of Chemical and Biological Engineering at Zhejiang University. Funding Information: This work was supported by the Natural Science Foundation of China (No. 21938011, 21725603, and 21808178), the Zhejiang Provincial Natural Science Foundation of China (No. LR20B060001), the National Program for Support of Top-notch Young Professionals (H. X.) and the Research Computing Center in College of Chemical and Biological Engineering at Zhejiang University. Publisher Copyright: {\textcopyright} 2020 American Institute of Chemical Engineers",
year = "2021",
month = jan,
doi = "10.1002/aic.17094",
language = "English (US)",
volume = "67",
journal = "AIChE Journal",
issn = "0001-1541",
publisher = "American Institute of Chemical Engineers",
number = "1",
}