Alkane–OH Hydrogen Bond Formation and Diffusion Energetics of n-Butane within UiO-66
| Autor: | Joshua Abelard, John R. Morris, Craig L. Hill, Weiwei Guo, Conor H. Sharp, Anna M. Plonka |
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| Rok vydání: | 2017 |
| Předmět: |
Alkane
chemistry.chemical_classification Arrhenius equation Chemistry Hydrogen bond Butane 02 engineering and technology Activation energy 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Dissociation (chemistry) 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Catalysis chemistry.chemical_compound symbols.namesake General Energy symbols Physical chemistry Molecule Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry C. 121:8902-8906 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.7b01351 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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