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.
| File | Dimensione | Formato | |
|---|---|---|---|
|
Advanced Science Letters 2017 - water ethanol ferririte.pdf
Accesso riservato
Tipologia:
Versione pubblicata dall'editore
Dimensione
130.84 kB
Formato
Adobe PDF
|
130.84 kB | Adobe PDF | Visualizza/Apri Richiedi una copia |
Pubblicazioni consigliate
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris
