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Data Publication
Small-angle neutron scattering, electron microscopy, and molecular simulation data package of nanoporosity in lithospheric rocks and its impact on water permittivity and mineral solubility
Chogani, Alireza
YoDa Data Repository, Utrecht University, Netherlands
(2024)
We show nanoporosity in a diverse range of lithospheric rocks and determine the impact of nanoconfinement on water permittivity and mineral solubility within the Earth’s lithosphere. This data package includes small-angle neutron scattering (SANS) data and transmission electron microscopy (TEM) images showing nanoporosity in various lithospheric rock samples. Subsequently, molecular dynamics input files are provided to simulate the behavior of water confined in these nanopores. Our results indicate significant deviations in both perpendicular and parallel components of nanoconfined water permittivity compared to the bulk. Consequently, this alteration in permittivity leads to a decrease in mineral solubility under elevated pressure-temperature conditions. The data is organized into 7 folders labeled Figure X, where X is the figure number in the primary publication, Extended Data Figure Y, where Y denotes the extended data figure number in the primary publication, and a Simulations folder containing the molecular dynamics (MD) input files. All MD simulations were conducted using the LAMMPS package. The data is provided in 7 subfolders. Detailed information about the files in these subfolders as well as information on how the data is processed is given in the explanatory file readme.txt.
Keywords
Originally assigned keywords
Corresponding MSL vocabulary keywords
MSL enriched keywords
MSL enriched sub domains i
Source publisher
YoDa Data Repository, Utrecht University, Netherlands
DOI
10.24416/uu01-o97bqg
Authors
Chogani, Alireza
0000-0002-1284-832X
Utrecht University;
Contributers
King, Helen E.
Researcher
0000-0002-1825-782X
Utrecht University;
Tutolo, Benjamin
Researcher
0000-0002-3047-8828
University of Calgary;
Živković, Aleksandar
Researcher
0000-0003-1347-6203
Utrecht University;
Plümper, Oliver
Supervisor
0000-0001-9726-0885
Utrecht University;
Citiation
Chogani, A. (2024). Small-angle neutron scattering, electron microscopy, and molecular simulation data package of nanoporosity in lithospheric rocks and its impact on water permittivity and mineral solubility (Version 1.0) [Data set]. Utrecht University. https://doi.org/10.24416/UU01-O97BQG
Collection Period
2020-10-05 - 2024-04-12