FTIR spectroscopy and thermodynamics of hydrogen adsorbed in a cross-linked polymer
| Autor: | Donato Cocina, Jenny G. Vitillo, Francesca Bonino, Giuseppe Spoto, Alessandro Damin, Adriano Zecchina |
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| Jazyk: | angličtina |
| Rok vydání: | 2007 |
| Předmět: |
cross-linked polymer
Chemistry high resolution Enthalpy Analytical chemistry molecular-hydrogen General Physics and Astronomy Infrared spectroscopy H2 adsorption high surface-area materials hydrogen storage physisorption FTIR spectroscopy Adsorption Physisorption Ab initio quantum chemistry methods Molecule Physical chemistry Physical and Theoretical Chemistry Fourier transform infrared spectroscopy BET theory |
| Popis: | The adsorption of H(2) in a cross-linked poly(styrene-co-divinylbenzene) (St-DVB) microporous polymer (BET surface area 920 m(2) g(-1)) is studied by volumetric and gravimetric methods, FTIR spectroscopy at variable temperature (300-14 K) and ab initio calculations. At 77 K the polymer reversibly stores up to 1.3 mass% H(2) at a pressure of 1 bar and 1.8 mass% at 10 bar. The adsorption process involves the specific interaction of H(2) with the structural phenyl rings through weak dispersive forces. The interacting molecules become IR active and give rise to vibrational and rotational-vibrational manifestations which are affected by the temperature, the contact time and the H(2) equilibrium pressure. The spectra of the H(2)/St-DVB system reported here represent the first IR evidence of the adsorption of hydrogen on unsaturated molecules. The adsorption enthalpy is evaluated by the VTIR (variable temperature IR spectroscopy) method (C. Otero Areán et al., Phys. Chem. Chem. Phys., 2007, DOI: 10.1039/b615535a) and compared with the results of ab initio calculations for the H(2)/benzene interaction and with literature data. |
| Databáze: | OpenAIRE |
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