Acoustical Measurements (rev.) by L. Beranek

By L. Beranek

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Bär, H. Ernst, H. Jobic, J. Kärger, Magn. Reson. Chem. 37, S79 (1999) 16. R. Hempelmann, D. A. K. Ross, Z. Phys, Chem. Neue Folge 159, 175 (1988) 17. L. Onsager, Phys. Rev. 37, 405 (1931) 18. H. N. Theodorou, Microporous Mesoporous Mater. 102, 21 (2007) 19. H. Jobic, J. Kärger, M. Bée, Phys. Rev. Lett. 82, 4260 (1999) 20. E. K. Papadopoulos, H. N. Theodorou, J. Phys. Chem. B 112, 11708 (2008) 21. G. de Gennes, Physica 25, 825 (1959) 22. F. I. Kolokolov, H. Jobic, G. L. Llewellyn, T. Devic, C. Serre, G.

In MIL-53(Cr), profiles corresponding to three-dimensional diffusion and convoluted with the instrumental resolution do not fit perfectly through the experimental points (Fig. 6a and Ref. [22] for spectra obtained at other Q values). A normal one-dimensional diffusion model, with a more waisted shape, fits better the experimental data (Fig. 6b and Ref. [22]). This is due to the interaction between H2 and the µ2-OD groups, leading to a one-dimensional diffusion along the tunnels via a jump sequence involving these hydroxyl groups.

The diffusivities computed from MD, even for H2, have been found to be quite sensitive to the mobility of the linker [26]. This is illustrated in Fig. 9, where a comparison between experimental and calculated self-diffusivities shows that an agreement is only reached for a flexible framework. As detailed in Sect. 2, quantum corrections were included via the Feynman–Hibbs approach [26]. 6 Å), was found to be less pronounced, the agreement with QENS values being not as good as in ZIF-8 [26]. 2 Quantum Effects on the Diffusion of Hydrogen Isotopes Conventional methods for H2 isotope separation, such as cryogenic distillation or thermal diffusion, are complex and energy intensive.

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