Impact of MOF defects on the binary adsorption of CO<sub>2</sub> and water in UiO-66

Journal article (2019)

Authors

Mohammad I. Hossain University of South Alabama
Jackson D. Cunningham University of South Alabama
T. Becker Engineering Thermodynamics - Mechanical, Maritime and Materials Engineering
Bogna E. Grabicka Georgia Institute of Technology
Krista S. Walton Georgia Institute of Technology
Brooks D. Rabideau University of South Alabama
T. Grant Glover University of South Alabama
Research Group
Engineering Thermodynamics (Mechanical, Maritime and Materials Engineering) (TU Delft)
MOF CO Co-adsorption Defect sites
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Published Date

2019

Language

English

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Faculty

Mechanical, Maritime and Materials Engineering

Department

Process and Energy

Research Group

Engineering Thermodynamics

Abstract


Metal organic frameworks are frequently examined as potential solutions to complex gas phase separations problems. In many cases, the gas phase adsorption properties of these materials are quantified using single component gas adsorption isotherms and breakthrough experiments. In adsorption separations, however, it is common that the adsorbent participates in a multicomponent adsorption event. In the literature there is a general absence of multicomponent adsorption data with most data predicted via the Ideal Adsorbed Solution Theory or molecular simulations. Therefore, in this work, binary adsorption data of CO
2
and water on UiO-66 were measured experimentally using a volumetric method at three different water loadings. Molecular simulations of isotherms were compared to the experimental measurements and the impact of two different MOF defect sites on the multicomponent CO
2
/H
2
O adsorption behavior was determined. The experimental data show a slight enhancement of CO
2
loading when CO
2
is co-adsorbed with water, which is a result that was confirmed via molecular simulations. Also, the simulation results show that defect sites can have a greater influence on low-pressure CO
2
adsorption in MOFs than the co-adsorption of water. Furthermore, the simulations provide a molecular-level understanding of the role of these defects on the single and binary adsorption behavior.