4.3 Article

Development and application of an exchange model for anisotropic water diffusion in the microporous MOF aluminum fumarate

Journal

JOURNAL OF MAGNETIC RESONANCE
Volume 291, Issue -, Pages 40-46

Publisher

ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jmr.2018.04.009

Keywords

PFG NMR; Aluminum fumarate; Anisotropic diffusion; Two-site exchange

Funding

  1. Federal Ministry of Education and Research of Germany [03SF0469A]

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Diffusion of water in aluminum fumarate was studied by means of pulsed field gradient (PFG) nuclear magnetic resonance (NMR). Due to water molecules exchanging between the intracrystalline anisotropic pore space and the isotropic intercrystalline void space the model of intracrystalline anisotropic diffusion fails to describe the experimental PFG NMR data at high observation times. Therefore, the two-site exchange model developed by Karger is extended to the case of exchange between an anisotropic and an isotropic site. This extended exchange model is solved by numerical integration. It describes the experimental data very well and yields values for the intracrystalline diffusion coefficient and the mean residence times of the respective sites. Further PFG NMR studies were performed with coatings consisting of small aluminum fumarate crystals, which are used in adsorptive heat transformation applications. The diffusion coefficients of water in the small crystal coating are compared to the values expected from the extended two-site exchange model and from the model of long-range diffusion. (c) 2018 Published by Elsevier Inc.

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