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- W3149449867 abstract "Abstract Although ethylene (C 2 H 4 ) is one of the most critical chemicals used as a feedstock in artificial plastic chemistry fields, it is challenging to obtain high‐purity C 2 H 4 gas without any trace ethane (C 2 H 6 ) by the oil cracking process. Adsorptive separation using C 2 H 6 ‐selective adsorbents is beneficial because it directly produces high‐purity C 2 H 4 in a single step. Herein, Ni(IN) 2 (HIN = isonicotinic acid) is computationally discovered as a promising adsorbent with the assistance of the multiscale high‐throughput computational screening workflow and Computation‐Ready, Experimental (CoRE) metal–organic framework (MOF) 2019 database. Ni(IN) 2 is subsequently synthesized and tested to show the ideal adsorbed solution theory (IAST) selectivity of 2.45 at 1 bar for a C 2 H 6 /C 2 H 4 mixture (1:15), which is one of the top‐performing selectivity values reported for C 2 H 6 ‐selective MOFs as well as excellent recyclability, suggesting that this material is a promising C 2 H 6 ‐selective adsorbent. Process‐level simulation results based on experimental isotherms demonstrate that the material is one of the top materials reported to date for ethane/ethylene separation under the conditions considered in this work." @default.
- W3149449867 created "2021-04-13" @default.
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- W3149449867 date "2021-04-01" @default.
- W3149449867 modified "2023-10-17" @default.
- W3149449867 title "High‐Throughput Discovery of Ni(IN)<sub>2</sub> for Ethane/Ethylene Separation" @default.
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- W3149449867 doi "https://doi.org/10.1002/advs.202004940" @default.
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