The all-silica synthetic zeolite Si-FER has been compressed using ethanol/water mixture as pressure transmitting medium (PTM). Analysis of the diffraction data indicates that both components of the PTM penetrate into the zeolite cavities. First-principles molecular dynamics simulations were performed to explore the room-temperature behavior of the Si-FER/ethanol/water system. The results suggest that the organic molecules tend to form hydrogen bonded dimers, which may also be hydrogen bonded to water molecules.

Pressure-induced penetration of water-ethanol mixtures in all-silica ferrierite / Arletti, R.; Fois, E.; Tabacchi, G.; Quartieri, S.; Vezzalini, G.. - In: ADVANCED SCIENCE LETTERS. - ISSN 1936-6612. - 23:6(2017), pp. 5966-5969. [10.1166/asl.2017.9082]

Pressure-induced penetration of water-ethanol mixtures in all-silica ferrierite

Arletti R.;Vezzalini G.
2017

Abstract

The all-silica synthetic zeolite Si-FER has been compressed using ethanol/water mixture as pressure transmitting medium (PTM). Analysis of the diffraction data indicates that both components of the PTM penetrate into the zeolite cavities. First-principles molecular dynamics simulations were performed to explore the room-temperature behavior of the Si-FER/ethanol/water system. The results suggest that the organic molecules tend to form hydrogen bonded dimers, which may also be hydrogen bonded to water molecules.
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Pressure-induced penetration of water-ethanol mixtures in all-silica ferrierite / Arletti, R.; Fois, E.; Tabacchi, G.; Quartieri, S.; Vezzalini, G.. - In: ADVANCED SCIENCE LETTERS. - ISSN 1936-6612. - 23:6(2017), pp. 5966-5969. [10.1166/asl.2017.9082]
Arletti, R.; Fois, E.; Tabacchi, G.; Quartieri, S.; Vezzalini, G.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11380/1167423
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