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Confined methanol within InOF-1: CO2 capture enhancement

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Abstract

The CO2 capture performance of InOF-1 was optimised by confining small amounts of MeOH within its micropores (MeOH@InOF-1). In comparison with fully activated InOF-1, MeOH@InOF-1 shows a 1.30 and 4.88-fold increase in CO2 capture capacity for kinetic and static isothermal CO2 adsorption experiments respectively. Density functional theory calculations coupled with forcefield based-Monte Carlo simulations revealed that such an enhancement is assigned to an increase of the degree of confinement felt by the CO2 molecules resulting from the formation of a lump at the vicinity of the μ2-OH groups since MeOH strongly interacts with these adsorption sites and is thus highly localized in this region.

Graphical abstract: Confined methanol within InOF-1: CO2 capture enhancement

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Publication details

The article was received on 24 Jul 2017, accepted on 14 Aug 2017 and first published on 15 Aug 2017


Article type: Paper
DOI: 10.1039/C7DT02709E
Citation: Dalton Trans., 2017, Advance Article
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    Confined methanol within InOF-1: CO2 capture enhancement

    E. Sánchez-González, P. G. M. Mileo, J. R. Álvarez, E. González-Zamora, G. Maurin and I. A. Ibarra, Dalton Trans., 2017, Advance Article , DOI: 10.1039/C7DT02709E

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