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National Repository of Grey Literature 1 records found  Search took 0.00 seconds. 
Ordering, transport and rotational dynamics of adsorbed carbon dioxide in metal-organic framework Zn2(BDC)2(DABCO)
 Peksa, Mikuláš ; Lang, Jan (advisor) ; Bulánek, Roman (referee) ; Dračínský, Martin (referee)
The work analyzes the dynamics of carbon dioxide adsorbed in crystals of anisotropic metalo-organic frameworks Zn2(BDC)2(DABCO). It utilizes nuclear magnetic resonance methods, namely, the 13 C spetroscopy, the PFG method and the measurement of longitudinal relaxation times. Experimental data are compared with calculation of molecular dynamics. The thesis provides a theoretical model for explaining the temperature dependence of the residual anisotropy of the chemical shift observed in the spectra. The method of measuring diffusion anistropy based on the change of the shape of the 13 C spectra is described. The work determines the theoretical course of dependence of the longitudinal relaxation time on temperature using Redfield's theory. Times characterizing dynamic processes running on a picosecond scale that determine the dynamics of the fluid as a whole are evaluated from the data. 2
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