Selective CO2 sorption using a compartmentalized coordination polymers with discrete voids
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Selective CO2 sorption using a compartmentalized coordination polymers with discrete voids

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Selective CO2 sorption using a compartmentalized coordination polymers with discrete voids

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dc.contributor.author Miguel‐Casañ, Eugenia
dc.contributor.author Andres-Garcia, Eduardo
dc.contributor.author Calbo Roig, Joaquín
dc.contributor.author Giménez Marqués, Mónica
dc.contributor.author Mínguez Espallargas, Guillermo
dc.date.accessioned 2021-07-15T13:16:50Z
dc.date.available 2021-07-15T13:16:50Z
dc.date.issued 2021
dc.identifier.uri https://hdl.handle.net/10550/79952
dc.description.abstract Carbon capture and storage with porous materials is one of the most promising technologies to minimize CO2 release into the atmosphere. Here, we report a family of compartmentalized coordination polymers (CCPs) capable of capturing gas molecules in a selective manner based on two novel tetrazole-based ligands. Crystal structures have been modelled theoretically under the Density Functional Theory (DFT) revealing the presence of discrete voids of 380 Å3. Single gas adsorption isotherms of N2, CH4 and CO2 have been measured, obtaining a loading capacity of 0.6, 1.7 and 2.2 molecules/void at 10 bar and at 298 K for the best performing material. Moreover, they present excellent selectivity and regenerability for CO2 in mixtures with CH4 and N2 in comparison with other reported materials, as evidenced by dynamic breakthrough gas experiments. These frameworks are therefore great candidates for separation of gas mixtures in the chemical engineering industry.
dc.language.iso eng
dc.relation.ispartof Chemistry-A European Journal, 2021, vol. 27, num. 14, p. 4653-4659
dc.rights.uri info:eu-repo/semantics/openAccess
dc.source Miguel&#8208Casañ, Eugenia Andres-Garcia, Eduardo Calbo Roig, Joaquín Giménez Marqués, Mónica Mínguez Espallargas, Guillermo 2021 Selective CO2 sorption using a compartmentalized coordination polymers with discrete voids Chemistry-A European Journal 27 14 4653 4659
dc.subject Materials
dc.subject Gasos d'efecte hivernacle
dc.title Selective CO2 sorption using a compartmentalized coordination polymers with discrete voids
dc.type info:eu-repo/semantics/article
dc.date.updated 2021-07-15T13:16:51Z
dc.identifier.doi https://doi.org/10.1002/chem.202004845
dc.identifier.idgrec 147217

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