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The effect of pressure on open-framework silicates: elastic behaviour and crystal–fluid interaction

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Abstract

The elastic behaviour and the structural evolution of microporous materials compressed hydrostatically in a pressure-transmitting fluid are drastically affected by the potential crystal–fluid interaction, with a penetration of new molecules through the zeolitic cavities in response to applied pressure. In this manuscript, the principal mechanisms that govern the P-behaviour of zeolites with and without crystal–fluid interaction are described, on the basis of previous experimental findings and computational modelling studies. When no crystal–fluid interaction occurs, the effects of pressure are mainly accommodated by tilting of (quasi-rigid) tetrahedra around O atoms that behave as hinges. Tilting of tetrahedra is the dominant mechanism at low-mid P-regime, whereas distortion and compression of tetrahedra represent the mechanisms which usually dominate the mid-high P regime. One of the most common deformation mechanisms in zeolitic framework is the increase of channels ellipticity. The deformation mechanisms are dictated by the topological configuration of the tetrahedral framework; however, the compressibility of the cavities is controlled by the nature and bonding configuration of the ionic and molecular content, resulting in different unit-cell volume compressibility in isotypic structures. The experimental results pertaining to compression in “penetrating” fluids, and thus with crystal–fluid interaction, showed that not all the zeolites experience a P-induced intrusion of new monoatomic species or molecules from the P-transmitting fluids. For example, zeolites with well-stuffed channels at room conditions (e.g. natural zeolites) tend to hinder the penetration of new species through the zeolitic cavities. Several variables govern the sorption phenomena at high pressure, among those: the “free diameters” of the framework cavities, the chemical nature and the configuration of the extra-framework population, the partial pressure of the penetrating molecule in the fluid (if mixed with other non-penetrating molecules), the rate of P-increase, the surface/volume ratio of the crystallites under investigations and the temperature at which the experiment is conducted. An overview of the intrusion phenomena of monoatomic species (e.g. He, Ar, Kr), small (e.g. H2O, CO2) and complex molecules, along with the P-induced polymerization phenomena (e.g. C2H2, C2H4, C2H6O, C2H6O2, BNH6, electrolytic MgCl2·21H2O solution) is provided, with a discussion of potential technological and geological implications of these experimental findings.

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Acknowledgements

The authors thank the Italian Ministry of Education, MIUR-Project: “Futuro in Ricerca 2012-ImPACT- RBFR12CLQD”. G. Tabacchi thanks Prof. E. Fois for useful discussions on the role of computational modelling in the investigation of high-pressure phenomena in open frameworks. Two anonymous reviewers are thanked for the revision of the manuscript. The Editor, M. Rieder, is warmly thanked for this invited paper to celebrate the 40th of Physics and Chemistry of Minerals.

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Authors and Affiliations

  1. Dipartimento di Scienze della Terra, Università degli Studi di Milano, Via Botticelli 23, 20133, Milan, Italy

    G. D. Gatta & P. Lotti

  2. CNR-Istituto di Cristallografia, Sede di Bari, Via G. Amendola 122/o, Bari, Italy

    G. D. Gatta

  3. Dipartimento di Scienza e Alta Tecnologia, Università degli Studi dell’Insubria, Via Valleggio 9, 22100, Como, Italy

    G. Tabacchi

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  1. G. D. Gatta
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  2. P. Lotti
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  3. G. Tabacchi
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Correspondence to G. D. Gatta.

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Invited review article to commemorate the 40th anniversary of the journal.

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Gatta, G.D., Lotti, P. & Tabacchi, G. The effect of pressure on open-framework silicates: elastic behaviour and crystal–fluid interaction. Phys Chem Minerals 45, 115–138 (2018). https://doi.org/10.1007/s00269-017-0916-z

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  • DOI: https://doi.org/10.1007/s00269-017-0916-z

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