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Modelling adsorption based on an isoreticular MOF ‐series of IFPs –Part I : Collection of physical properties and single component equilibria
Author(s) -
Otter Dirk,
Dieler Max,
Dänekas Volker,
Krätz Lorenz,
Holdt HansJürgen,
Bart HansJörg
Publication year - 2022
Publication title -
the canadian journal of chemical engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.404
H-Index - 67
eISSN - 1939-019X
pISSN - 0008-4034
DOI - 10.1002/cjce.24286
Subject(s) - adsorption , microporous material , mesoporous material , context (archaeology) , chemistry , component (thermodynamics) , thermodynamics , metal organic framework , langmuir adsorption model , organic chemistry , physics , paleontology , biology , catalysis
An isoreticular series of metal organic frameworks (MOFs) of IFPs (IFP, imidazolate frameworks Potsdam) is investigated for their morphological properties and adsorption behaviour. The materials are characterized phenomenologically with respect to their particle size and tendency of agglomerate formation, and with respect to their internal structure. For this purpose, material densities, pore size distributions, specific inner surfaces, and porosities are determined. The main part of the investigation is based on the analysis of gravimetrically determined adsorption equilibria for carbon dioxide (CO 2 ) and methane (CH 4 ) and their modelling. In this context, two different approaches for the consideration of the buoyancy of the sample are compared. The adjusted measurement data are globally approximated as sets of isotherms at different temperatures with two different modifications of the Langmuir model. Results show that both models are well suited for the interpolation of the experimental data in the temperature range under consideration. Comparison of the heats of adsorption derived from the isosteric method with values extracted from the model equations confirms them as physically consistent. This provides the opportunity to numerically simulate the dynamic separation of CO 2 /CH 4 ‐mixtures under consideration of the heat tone based on the single component data. The IFPs can be divided phenomenologically into two categories. One is exclusively microporous (IFP‐4, ‐6, ‐7, and ‐8), while the other exhibits hierarchical structures of micropores coupled with mesopores (IFP‐1, ‐2, ‐3, and ‐5). Equilibrium data indicate that the latter are better suited for the separation of CO 2 /CH 4 ‐mixtures due to their higher selectivities and capacities.