CO2 capture enhancement for InOF-1: confinement of 2-propanol.
作者： Jonathan E. Sánchez-Bautista , Bruno Landeros-Rivera , Tamara Jurado-Vázquez , Ana Martínez , Eduardo González-Zamora
DOI: 10.1039/C9DT00384C
关键词:
摘要: The 2-propanol (i-PrOH) adsorption properties of InOF-1 are investigated along with the confinement small amounts this alcohol to enhance CO2 capture for i-PrOH@InOF-1 (1.25-fold improvement compared pristine InOF-1). exhibited a high affinity towards i-PrOH, experimentally quantified by ΔHads (−55 kJ mol−1), and DFT geometry optimisations showed strong hydrogen bonding between O(i-PrOH) H(μ2-OH). Quantum chemical models demonstrated that increase was due decrease in void surface (bottleneck effect), formation essential bonds i-PrOH hydroxo functional group (μ2-OH) InOF-1.
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