Impact of Pore Size and Defects on the Selective Adsorption of Acetylene in Alkyne-Functionalized Nickel(II)- Pyrazolate-Based MOFs
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Afshariazar, Farzaneh; Muñoz Padial, Natalia; Roldán Molina, Esther; Oltra Ferrero, Juan Enrique; Rodríguez Navarro, Jorge AndrésEditorial
Wiley-VCH Verlag GmbH
Materia
Breakthrough curves Carbon capture Gas separation Computational modelling Temperature swing adsorption
Date
2021-06-11Referencia bibliográfica
F. Afshariazar... [et al.], Chem. Eur. J. 2021, 27, 11837. [doi.org/10.1002/chem.202100821]
Sponsorship
European Commission; MINECO CTQ2017-84692-R; Junta de Andalucia P18-RT-612; Erasmus+ (Placement); University of Milan; Ministry of Education, Universities and Research (MIUR) 2017KKP5ZR; UGR; Tarbiat Modares UniversityAbstract
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)pyrazolatebased
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.