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Jul 19, 2022 - Evaporation-driven density instabilities in saturated porous media
Kloker, Leon; Bringedal, Carina, 2022, "Code for: Solution approaches for evaporation-driven density instabilities in a slab of saturated porous media", https://doi.org/10.18419/darus-3057, DaRUS, V1
This dataset concerns codes and solution approaches for a case of evaporation-driven density instabilities from a porous slab that is bounded vertically. Two solution approaches (Chebyshev-Galerkin and Fundamental matrix) for the resulting eigenvalue problem is included, as well...
Apr 1, 2022 - Eigenvalue problem solver for evaporation-driven density instabilities in saturated porous media
Bringedal, Carina; Pieters, G. J. M.; Duijn, C. J. van, 2022, "Eigenvalue problem solver for evaporation-driven density instabilities in saturated porous media", https://doi.org/10.18419/darus-2577, DaRUS, V1
This code solves the resulting eigenvalue problem when considering onset of density-driven instabilities in a semi-infinite saturated porous medium which is subject to an evaporative flux for water and no-flux for the salt concentration from the top boundary. The eigenvalue probl...
Mar 25, 2022 - Thin Film Water on NaCl(100)
Gravelle, Simon, 2022, "Movies of thin film water on rough NaCl surface", https://doi.org/10.18419/darus-2770, DaRUS, V1
Videos showing water molecules at a rough sodium chloride solid surface for different roughness and different water chemical potential. The force field for the water is TIP4P/epsilon (https://doi.org/10.1021/jp410865y), and the force field for the ions is from Loche et al. (https...
Mar 25, 2022 - Thin Film Water on NaCl(100)
Gravelle, Simon, 2022, "Molecular simulation scripts for thin film water on NaCl surface", https://doi.org/10.18419/darus-2726, DaRUS, V1
LAMMPS and GROMACS molecular simulation input files. The system consists of thin film water confined in a 7 nm NaCl slit pore, and can be generated using the Python scripts in SystemGeneration. The simulation is either equilibrium molecular dynamics (EMD), non equilibrium molecul...
Mar 25, 2022 - Thin Film Water on NaCl(100)
Gravelle, Simon, 2022, "Movies of thin film water on NaCl(100) surface", https://doi.org/10.18419/darus-2697, DaRUS, V1
Videos showing water molecules at a sodium chloride (NaCl) solid surface for different water content. The force field for the water is TIP4P/epsilon (https://doi.org/10.1021/jp410865y), and the force field for the ions is from Loche et al. (https://doi.org/10.1021/acs.jpcb.1c0530...
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