author ="Peng, Yun-Lei and Wang, Ting and Jin, Chaonan and Li, Pengfei and Suepaul, Shanelle and Beemer, Gary and Chen, Yao and Krishna, Rajamani and Cheng, Peng and Pham, Tony and Space, Brian and Zaworotko, Michael J. and Zhang, Zhenjie",
title  ="A robust heterometallic ultramicroporous MOF with ultrahigh selectivity for propyne/propylene separation",
journal  ="J. Mater. Chem. A",
year  ="2021",
volume  ="9",
issue  ="5",
pages  ="2850-2856",
publisher  ="The Royal Society of Chemistry",
doi  ="10.1039/D0TA08498K",
url  ="http://dx.doi.org/10.1039/D0TA08498K",
abstract  ="Highly efficient removal of trace propyne (C3H4) (propyne <1000 ppm) from propylene (C3H6) is an essential and challenging industrial process due to the high molecular similarity of C3H4 and C3H6. Herein{,} we created a new ultramicroporous metal–organic framework (NKMOF-11) with exceptional water stability{,} superior C3H4 binding affinity{,} and ultrahigh uptake capacity of C3H4 at ultra-low pressure (0.1 mbar). Modelling studies revealed that the excellent performance of NKMOF-11 can be attributed to the suitable pore aperture and unique binding sites for C3H4 through strong hydrogen bonding and π–π interactions. Attributed to the preferred adsorption of C3H4{,} NKMOF-11 possessed ultrahigh selectivities towards C3H4/C3H6 mixtures (1/99 and 1/999 (v/v)) at room temperature. The simulation and experimental breakthrough results further revealed that NKMOF-11 possesses excellent separation performance towards C3H4 and C3H6 binary mixtures (1/99 and 1/999) and sets a new record for the productivity of polymer-grade C3H6 (>99.996%) among all reported materials. This study paves a new avenue for the design of adsorbent materials with both high selectivity and high productivity for a C3H4/C3H6 binary mixture."}