Data Publication

Molecular simulation data package on the dielectric permittivity of nanoconfined geofluids with various salt concentrations

Chogani, Alireza

YoDa Data Repository, Utrecht University, Netherlands

(2024)

To determine the effect of salinity on the dielectric permittivity of nanoconfined geofluids, we employed molecular dynamics (MD) simulations of saline water confined in calcite slit nanochannels. This data package includes data points, figures, and MD input files to simulate the behaviour of saline water with various NaCl concentrations confined in calcite nanopores at ambient conditions. The dielectric behaviour of nanoconfined saline water deviates significantly compared to the bulk. However, the dielectric properties are weakly dependent on salinity for both the perpendicular and parallel dielectric permittivity components. The data is organized into nine folders referred to as Figure X, where X corresponds to the figure number in the primary publication and a Simulations folder containing the MD input files. All MD simulations were conducted using the LAMMPS package. Detailed information about the files and methods employed can be found in the accompanying readme file.

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