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A cobalt metal‐organic framework with small pore size for adsorptive separation of CO 2 over N 2 and CH 4
Author(s) -
Shan Bohan,
Yu Jiuhao,
Armstrong Mitchell R.,
Wang Dingke,
Mu Bin,
Cheng Zhenfei,
Liu Jichang
Publication year - 2017
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.15786
Subject(s) - cobalt , adsorption , metal organic framework , selectivity , thermal diffusivity , diffusion , chemistry , molecule , gas separation , thermodynamics , materials science , inorganic chemistry , catalysis , organic chemistry , physics , biochemistry , membrane
In this study, a new cobalt‐based metal‐organic framework (MOF), [Co 6 II(μ 3 ‐OH) 2 (ipa) 5 (C 3 O 2 )(DMF) 2 ] (CoIPA) was synthesized. The crystal structure analysis shows that CoIPA is constructed by Co 6 (μ 3 ‐OH) 2 units linked by isophthalic acid forming a sxb topology and it possesses a small pore size of about 4 Å. The new MOF has been characterized using multiple experimental methods. Monte Carlo and Molecular Dynamic simulations were employed to investigate adsorption equilibrium and kinetics in terms of capacity and diffusivity of CO 2 , N 2 , and CH 4 on CoIPA. The gas adsorption isotherms collected experimentally were used to verify the simulation results. The activated CoIPA sample exhibits great gas separation ability at ambient conditions for CO 2 /N 2 and CO 2 /CH 4 with selectivity of around 61.4 and 11.7, respectively. The calculated self‐diffusion coefficients show a strong direction dependent diffusion behavior of target molecules. This high adsorption selectivity for both CO 2 /N 2 and CO 2 /CH 4 makes CoIPA a potential candidate for adsorptive CO 2 separation. © 2017 American Institute of Chemical Engineers AIChE J , 63: 4532–4540, 2017