Confined methanol within InOF-1: CO2 capture enhancement

摘要: The CO2 capture performance of InOF-1 was optimised by confining small amounts 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 capacity for kinetic static isothermal adsorption experiments respectively. Density functional theory calculations coupled forcefield based-Monte Carlo simulations revealed that such an enhancement is assigned to the degree confinement felt molecules resulting from formation lump at vicinity μ2-OH groups since strongly interacts these sites thus highly localized this region.