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ZENODO
Dataset . 2021
License: CC BY
Data sources: Datacite
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ZENODO
Dataset . 2021
License: CC BY
Data sources: Datacite
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ZENODO
Dataset . 2021
License: CC BY
Data sources: ZENODO
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Pressure and water content isotherms for Wyoming Na-montmorillonite

Authors: Brochard, Laurent;

Pressure and water content isotherms for Wyoming Na-montmorillonite

Abstract

Raw results of Grand Canonical simulations of Wyoming Na-montmorillonite hydration at 300K. For the details of the method used, see : Brochard, L. (2021) Swelling of montmorillonite from molecular simulation: hydration diagram and confined water properties. The Journal of Physical Chemistry C, accepted, https://doi.org/10.1021/acs.jpcc.1c02659 The file 'pressure isotherms.txt' provides the pressure as a function of the d-spacing, for different relative fugacities. The first column gives the spacing and each subsequent column gives the corresponding pressures at a given relative fugacity. The relative fugacities are listed on the first line. The file 'water content isotherms.txt' provides the water content as a function of the d-spacing, for different relative fugacities. The first column gives the spacing and each subsequent column gives the corresponding water content at a given relative fugacity. The relative fugacities are listed on the first line.

Keywords

montmorillonite, crystalline swelling, molecular simulation, grand canonical

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