Humidity-induced CO2 capture enhancement in Mg-CUK-1. Issue 44 (25th October 2018)

• Record Type: Journal Article
• Authors: Sagastuy-Breña, Mónica; Mileo, Paulo G. M.; Sánchez-González, Elí; Reynolds, Joseph E.; Jurado-Vázquez, Tamara; Balmaseda, Jorge; González-Zamora, Eduardo; Devautour-Vinot, Sabine; Humphrey, Simon M.; Maurin, Guillaume; Ibarra, Ilich A.
• Is Part Of: Dalton transactions. Volume 47:Issue 44(2018)
• Page Start: 15827
• Page End: 15834
• Publication Date: 2018-10-25
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c8dt03365j
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : Mg-CUK-1 showed a 1.8-fold increase in CO2 capture (from 4.6 wt% to 8.5 wt%) in the presence of 18% RH. Abstract : Kinetic CO2 adsorption measurements in the water-stable and permanently microporous Metal–organic framework material, Mg-CUK-1, reveal a 1.8-fold increase in CO2 capture from 4.6 wt% to 8.5 wt% in the presence of 18% relative humidity. Thermodynamic CO2 uptake experiments corroborate this enhancement effect, while grand canonical Monte Carlo simulations also support the phenomenon of a humidity-induced increase in the CO2 sorption capacity in Mg-CUK-1. Molecular simulations were implemented to gain insight into the microscopic adsorption mechanism responsible for the observed CO2 sorption enhancement. These simulations indicate that the cause of increasing CO2 adsorption enthalpy in the presence of H2 O is due to favorable intermolecular interactions between the co-adsorbates confined within the micropores of Mg-CUK-1.