Pressure and water content isotherms for Wyoming Na-montmorillonite

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.