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Metadata Files

Data Publication

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

Alireza Chogani

Utrecht University

(2024)

Descriptions

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.

Keywords


Originally assigned keywords
Analogue modelling of geologic processes
nanogeoscience
permittivity
salinity
confinement
Dielectric constant
molecular dynamics
EPOS
calcite
Transmission Electron Microscope
Electrical Capacity

Corresponding MSL vocabulary keywords
calcite
transmission electron microscope (TEM)
electrical capacity

MSL enriched keywords
minerals
carbonate minerals
calcite
Apparatus
electron microscopy
transmission electron microscope (TEM)
Measured property
electrical properties
electrical capacity

MSL enriched sub domains i

microscopy and tomography
rock and melt physics

Source

https://public.yoda.uu.nl/geo/UU01/S0MHDM.html

Source publisher

Utrecht University


DOI

10.24416/uu01-s0mhdm


Creators

Alireza Chogani

Utrecht University

ORCID:

https://orcid.org/0000-0002-1284-832X


Contributors

E. King, Helen

Supervisor

Utrecht University

ORCID:

https://orcid.org/0000-0002-1825-782X

Živković, Aleksandar

Researcher

Utrecht University

ORCID:

https://orcid.org/0000-0003-1347-6203

Plümper, Oliver

Supervisor

Utrecht University

ORCID:

https://orcid.org/0000-0001-9726-0885


Citation

Chogani, A. (2024). Molecular simulation data package on the dielectric permittivity of nanoconfined geofluids with various salt concentrations (Version 1.0) [Data set]. Utrecht University. https://doi.org/10.24416/UU01-S0MHDM


Dates

Updated:

2025-02-24T09:21:26

Available:

2024-01-01

Collected:

2022-06-01/2024-07-02


Language

en


Funding References

Funder name: European Research Council


Rights

Open - freely retrievable

Creative Commons Attribution 4.0 International Public License


Datacite version

Version 1.0