期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 121, 期 16, 页码 8902-8906出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.7b01351
关键词
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资金
- U.S. Army Research Laboratory
- U.S. Army Research Office [W911NF-15-2-0107]
- Defense Threat Reduction Agency [BB11PHM156]
Hydrocarbon diffusion and binding within porous molecular networks are critical to catalysis, separations, and purification technologies. Fundamental insight into n-butane uptake and mobility within a new class of materials for separations, metal-organic frameworks (MOFs), has been gained through in situ infrared spectroscopy. These ultrahigh vacuum (UHV) based measurements revealed that adsorption of n-butane within UiO-66 proceeds through the formation of hydrogen bonds between the alkane molecules and hydroxyl groups located at the inorganic node of UiO-66. Modeling the gas transport of n-butane with Fick's second law yielded diffusion coefficients at several temperatures. The Arrhenius parameter for the activation energy of diffusion was found to be 21.0 +/- 1.2 kJ/mol. These studies have further shown that the rate-determining step for diffusion is likely the dissociation of n-butane from a binding site located within the tetrahedral pores of UiO-66.
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