{"title":"Direct Ethylene Purification from a Four-Component Gas Mixture by a Microporous MOF with Aromatic Pore Surface and Carboxylates","authors":"Haitian Zhao, Suer Guo, Junyang Jiang, Xin Chen*, Yu Wang, Xingge He, Meng Chen, Wei Wang, Shangyu Wang, Miao Wang, Tongming Sun, Huihui Cui, Su Wang* and Mingxing Zhang*, ","doi":"10.1021/acs.inorgchem.4c01048","DOIUrl":null,"url":null,"abstract":"<p >The single-step purification of ethylene (C<sub>2</sub>H<sub>4</sub>) from a mixture of carbon dioxide (CO<sub>2</sub>), acetylene (C<sub>2</sub>H<sub>2</sub>), ethylene (C<sub>2</sub>H<sub>4</sub>), and ethane (C<sub>2</sub>H<sub>6</sub>) was achieved through MOF <b>Compound-1</b>, where the aromatic pore surface and carboxylates selectively recognized C<sub>2</sub>H<sub>6</sub> and CO<sub>2</sub>, respectively, resulting in a reversal of the adsorption orders for both gases (C<sub>2</sub>H<sub>6</sub> > C<sub>2</sub>H<sub>4</sub> and CO<sub>2</sub> > C<sub>2</sub>H<sub>4</sub>). Breakthrough testing verified that the C<sub>2</sub>H<sub>4</sub> purification ability could be enhanced 2.6 times after adding impure CO<sub>2</sub>. Grand Canonical Monte Carlo (GCMC) simulations demonstrate that there are interactions between CO<sub>2</sub> and C<sub>2</sub>H<sub>6</sub> molecules as well as between CO<sub>2</sub> molecules themselves. These interactions contribute to the enhancement of the C<sub>2</sub>H<sub>4</sub> purification ability upon the addition of CO<sub>2</sub> and the increased adsorption of CO<sub>2</sub>.</p>","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":4.3000,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.inorgchem.4c01048","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
Abstract
The single-step purification of ethylene (C2H4) from a mixture of carbon dioxide (CO2), acetylene (C2H2), ethylene (C2H4), and ethane (C2H6) was achieved through MOF Compound-1, where the aromatic pore surface and carboxylates selectively recognized C2H6 and CO2, respectively, resulting in a reversal of the adsorption orders for both gases (C2H6 > C2H4 and CO2 > C2H4). Breakthrough testing verified that the C2H4 purification ability could be enhanced 2.6 times after adding impure CO2. Grand Canonical Monte Carlo (GCMC) simulations demonstrate that there are interactions between CO2 and C2H6 molecules as well as between CO2 molecules themselves. These interactions contribute to the enhancement of the C2H4 purification ability upon the addition of CO2 and the increased adsorption of CO2.
期刊介绍:
Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.