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

ABSTRACT: A highly porous metal-organic framework DUT-48, isoreticular to DUT-49, is reported with a high surface area of 4560 m²·g^-1 and methane storage capacity up to 0.27 g·g^-1 (164 cm³·cm^-3) at 6.5 MPa and 298 K. The flexibility of DUT-48 and DUT-49 under external and internal (adsorption-induced) pressure is analyzed and rationalized using a combination of advanced experimental and computational techniques. While both networks undergo a contraction by mechanical pressure, only DUT-49 shows adsorption-induced structural transitions and negative gas adsorption of n-butane and nitrogen. This adsorption behavior was analyzed by microcalorimetry measurements and molecular simulations to provide an explanation for the lack of adsorption-in

SUBMITTER: Krause S 

PROVIDER: S-EPMC9115760 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature