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Electrostatically Driven Selective Adsorption of Carbon Dioxide over Acetylene in an Ultramicroporous Material
Author(s) -
Xie Yi,
Cui Hui,
Wu Hui,
Lin RuiBiao,
Zhou Wei,
Chen Banglin
Publication year - 2021
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202100584
Subject(s) - adsorption , acetylene , gas separation , chemical engineering , carbon dioxide , chemistry , neutron diffraction , selectivity , selective adsorption , membrane , materials science , chemical physics , organic chemistry , crystal structure , engineering , biochemistry , catalysis
Separating acetylene from carbon dioxide is important but highly challenging owing to their similar physical properties and molecular dimensions. Herein, we report highly efficient electrostatically driven CO 2 /C 2 H 2 separation in an ultramicroporous cadmium nitroprusside ( Cd‐NP ) with compact pore space and complementary electrostatic potential well fitting for CO 2 , thus enabling molecular quadrupole moment recognition of CO 2 over C 2 H 2 . This material shows a high CO 2 /C 2 H 2 uptake ratio of 6.0 as well as remarkable CO 2 /C 2 H 2 selectivity of 85 under ambient conditions with modest CO 2 heat of adsorption. Neutron powder diffraction experiments and molecular simulations revealed that the electrostatic potential compatibility between pore structure and CO 2 allows it to be trapped in a head‐on orientation towards the Cd center, whereas the diffusion of C 2 H 2 is electrostatically forbidden. Dynamic breakthrough experiments have validated the separation performance of this compound for CO 2 /C 2 H 2 separation.