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Adsorption Contraction Mechanics: Understanding Breathing Energetics in Isoreticular Metal-Organic Frameworks

preprint
submitted on 08.03.2018 and posted on 08.03.2018 by Simon Krause, Jack D. Evans, Volodymyr Bon, Irena Senkovska, Sebastian Ehrling, Ulrich Stoeck, Pascal Yot, Paul Iacomi, Philip Llewellyn, Guillaume Maurin, François-Xavier Coudert, Stefan Kaskel
In this article we report the synthesis and detailed analysis of the highly porous metal-organic framework DUT-48, isoreticular to DUT-49 a material which shows an adsorption-induced structural transition. DUT-48 has impressive porosity and methane storage capacity, however displays conventional adsorption behaviour. The contrasting flexibility of DUT-48 and DUT-49 were analysed and rationalised using a combination of novel experimental and computational techniques. Microcalorimetry measurements, in conjunction with molecular simulations, demonstrate that DUT-48 has a significantly lower adsorption enthalpy difference and a higher framework stiffness which leads to an absence of adsorption-induced transitions and negative gas adsorption (NGA). However, by analysing the mechanical behaviour of both DUT-48 and DUT-49, employing mercury porosimetry experiments, we discovered that both materials exhibit large volume changes under hydrostatic compression, demonstrating noteworthy potential as shock absorbers, and directly linking internal adsorption-induced contraction to external hydrostatic compression.

Funding

European Union's Horizon 2020 research and innovation programme (grant agreement No 742743).

History

Email Address of Submitting Author

jack.evans@tu-dresden.de

Email Address(es) for Other Author(s)

stefan.kaskel@tu-dresden.de

Institution

Technische Universität Dresden

Country

Germany

ORCID For Submitting Author

0000-0001-9521-2601

Declaration of Conflict of Interest

There are no conflicts to declare.

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