Scientific Results

Flexibility windows and compression of monoclinic and orthorhombic silicalites

Year: 2012

Authors: Sartbaeva A., Haines J., Cambon O., Santoro M., Gorelli F., Levelut C., Garbarino G., Wells S. A.

Autors Affiliation: Department of Chemistry, Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR, United Kingdom, European Union;
Institut Charles Gerhardt Montpellier, UMR 5253 CNRS-UM2-ENSCM-UM1, Equipe C2M, Universit´e Montpellier 2, Place E. Bataillon,cc 1504, F-34095 Montpellier, Cedex 5, France, European Union;
Ist. Fis. Applicata Nello Carrara (IFAC)-CNR, Via Madonna del Piano, 10, I-50019 Sesto Fiorentino (Florence), Italy;
European Laboratory for non Linear Spectroscopy (LENS), Via Nello Carrara,1, Sesto Fiorentino (Florence), Italy, European Union;
CNR, Ist Proc Chim Fis, Unita Org Supporto Roma, I-00185 Rome, Italy, European Union;
Laboratoire Charles Coulomb, UMR 5221 CNRS, Universit´e Montpellier 2, Place E. Bataillon, cc069, F-34095 Montpellier,
Cedex 5, France, European Union;
European Synchrotron Radiation Facility (ESRF), F-38343 Grenoble, France, European Union;
Department of Physics and Centre for Scientific Computing, University of Warwick – Gibbet Hill Road, Coventry CV4 7AL,
United Kingdom, European Union

Abstract: Silicalite, a high-silica zeolite with MFI topology, undergoes pressure-induced amorphisation (PIA) when compressed with nonpenetrating pressure media. PIA is prevented by penetrating pressure media. In several zeolites, links have recently been found between pressure-induced phase transitions and the flexibility window, a geometric property of the framework identified by geometric simulation. We have analyzed structural data from compression experiments on silicalite, and we find that PIA occurs while the structure lies within its flexibility window. Penetrating media, which prevent PIA, push the structure outside the flexibility window. Thus framework flexibility is required for PIA to occur in silicalite. This link between amorphisation and flexibility is further evidence of the deep connections between framework geometry, flexibility, and the physical properties of zeolites.

Journal/Review: PHYSICAL REVIEW B

Volume: 85 (6)      Pages from: 064109  to: 064109

More Information: A.S. thanks the Royal Society for funding, S.A.W. thanks the Leverhulme foundation for funding, and J.H. thanks the French National Research Agency (ANR) for funding through the research project ANR-09-BLAN-0018-01. We acknowledge support from the European Union (European Laboratory for Nonlinear Spectroscopy Contract FP7 G.A. No. 228334 LASERLABEUROPE) and the Ente Cassa di Risparmio di Firenze.
DOI: 10.1103/PhysRevB.85.064109

Citations: 30
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