C2H2/CO2 separation is a highly challenging process as a consequence of their similar physicochemical properties. In this work we have explored, by static and dynamic gas sorption techniques and computational modelling, the suitability of a series of two isoreticular robust Ni(II)pyrazolate-based MOFs, bearing alkyne moieties on the ligand backbones, for C2H2/CO2 separation. The results are consistent with high adsorption capacity and selectivity of the essayed systems towards C2H2 molecules. Furthermore, a post-synthetic treatment with KOH ethanolic solution gives rise to linker vacancy defects and incorporation of extraframework potassium ions. Creation of defects is responsible for increased adsorption capacity for both gases, however, strong interactions of the cluster basic sites and extraframework potassium cations with CO2 molecules are responsible for a lowering of C2H2 over CO2 selectivity.

Impact of Pore Size and Defects on the Selective Adsorption of Acetylene in Alkyne-Functionalized Nickel(II)-Pyrazolate-Based MOFs / F. Afshariazar, A. Morsali, S. Sorbara, N.M. Padial, E. Roldan-Molina, J.E. Oltra, V. Colombo, J.A.R. Navarro. - In: CHEMISTRY-A EUROPEAN JOURNAL. - ISSN 0947-6539. - 27:46(2021 Jun 11), pp. 11837-11844. [10.1002/chem.202100821]

Impact of Pore Size and Defects on the Selective Adsorption of Acetylene in Alkyne-Functionalized Nickel(II)-Pyrazolate-Based MOFs

V. Colombo
Penultimo
;
2021-06-11

Abstract

C2H2/CO2 separation is a highly challenging process as a consequence of their similar physicochemical properties. In this work we have explored, by static and dynamic gas sorption techniques and computational modelling, the suitability of a series of two isoreticular robust Ni(II)pyrazolate-based MOFs, bearing alkyne moieties on the ligand backbones, for C2H2/CO2 separation. The results are consistent with high adsorption capacity and selectivity of the essayed systems towards C2H2 molecules. Furthermore, a post-synthetic treatment with KOH ethanolic solution gives rise to linker vacancy defects and incorporation of extraframework potassium ions. Creation of defects is responsible for increased adsorption capacity for both gases, however, strong interactions of the cluster basic sites and extraframework potassium cations with CO2 molecules are responsible for a lowering of C2H2 over CO2 selectivity.
breakthrough curves; carbon capture; computational modelling; gas separation; temperature swing adsorption
Settore CHIM/03 - Chimica Generale e Inorganica
Settore CHIM/02 - Chimica Fisica
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/862734
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