SFB 1313 "Interface-Driven Multi-Field Processes in Porous Media"

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Subject: Physics

21 to 30 of 45 Results

Replication Data for the numerical simulations in: Evaporation-driven density instabilities in saturated porous media Apr 6, 2022 - Density-driven instabilities Schollenberger, Theresa; Helmig, Rainer, 2022, "Replication Data for the numerical simulations in: Evaporation-driven density instabilities in saturated porous media", https://doi.org/10.18419/darus-2578, DaRUS, V1 This dataset contains the raw data of the results of the numerical simulations published in: Carina Bringedal, Theresa Schollenberger, G. J. M. Pieters, C. J. van Duijn and Rainer Helmig. Evaporation-driven density instabilities in saturated porous media. Transport in Porous Medi...
Density-driven instabilities(Universität Stuttgart) Mar 30, 2022C-X3 Simulation results, code and evaluation scrips for density-driven instabilities due to evaporation.
C-X3(Universität Stuttgart) Mar 30, 2022
Movies of thin film water on rough NaCl surface 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...
Molecular simulation scripts for thin film water on NaCl surface 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...
Movies of thin film water on NaCl(100) surface 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...
Thin Film Water on NaCl(100)(Universität Stuttgart) Mar 17, 2022C01: A Lattice-Boltzmann investigation of two-phase electrolyte flow in porous structures with morphology alterations and tunable interfacial wetting behaviour Molecular dynamics input script, raw data, and video of thin water film at the NaCl surface.
Replication Data for: Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach Oct 7, 2021 - Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach Jaust, Alexander; Schmidt, Patrick, 2021, "Replication Data for: Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach", https://doi.org/10.18419/darus-1778, DaRUS, V1 This repository contains simulation data and postprocessing scripts used in the publication: Schmidt, P., Jaust, A., Steeb, H., Schulte, M.: "Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach". Computational Geosciences (2022). do...
Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach (Universität Stuttgart) Sep 29, 2021D02: Parallel numerical coupling methods for interface problems
Supporting Information: Solute Configurations in n-hexane, cyclohexane and benzene Jun 23, 2021 - Predicting Solvation Free Energies in Non-Polar Solvents using ClassicalDensity Functional Theory based on the PC-SAFT equation of state Eller, Johannes; Matzerath, Tanja; van Westen, Thijs; Gross, Joachim, 2021, "Supporting Information: Solute Configurations in n-hexane, cyclohexane and benzene", https://doi.org/10.18419/darus-1734, DaRUS, V1 This data set contains the intramolecular configurations of the considered solute molecules in n-hexane, cyclohexane and benzene used to calculate solvation free energies using classical density functional theory based on the PC-SAFT equation of state. The files include the carte...

Replication Data for the numerical simulations in: Evaporation-driven density instabilities in saturated porous media

Apr 6, 2022 - Density-driven instabilities

Schollenberger, Theresa; Helmig, Rainer, 2022, "Replication Data for the numerical simulations in: Evaporation-driven density instabilities in saturated porous media", https://doi.org/10.18419/darus-2578, DaRUS, V1

This dataset contains the raw data of the results of the numerical simulations published in: Carina Bringedal, Theresa Schollenberger, G. J. M. Pieters, C. J. van Duijn and Rainer Helmig. Evaporation-driven density instabilities in saturated porous media. Transport in Porous Medi...

Density-driven instabilities(Universität Stuttgart)

Mar 30, 2022C-X3

Simulation results, code and evaluation scrips for density-driven instabilities due to evaporation.

C-X3(Universität Stuttgart)

Mar 30, 2022

Movies of thin film water on rough NaCl surface

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...

Molecular simulation scripts for thin film water on NaCl surface

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...

Movies of thin film water on NaCl(100) surface

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...

Thin Film Water on NaCl(100)(Universität Stuttgart)

Mar 17, 2022C01: A Lattice-Boltzmann investigation of two-phase electrolyte flow in porous structures with morphology alterations and tunable interfacial wetting behaviour

Molecular dynamics input script, raw data, and video of thin water film at the NaCl surface.

Replication Data for: Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach

Oct 7, 2021 - Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach

Jaust, Alexander; Schmidt, Patrick, 2021, "Replication Data for: Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach", https://doi.org/10.18419/darus-1778, DaRUS, V1

This repository contains simulation data and postprocessing scripts used in the publication: Schmidt, P., Jaust, A., Steeb, H., Schulte, M.: "Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach". Computational Geosciences (2022). do...

Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach (Universität Stuttgart)

Sep 29, 2021D02: Parallel numerical coupling methods for interface problems

Supporting Information: Solute Configurations in n-hexane, cyclohexane and benzene

Jun 23, 2021 - Predicting Solvation Free Energies in Non-Polar Solvents using ClassicalDensity Functional Theory based on the PC-SAFT equation of state

Eller, Johannes; Matzerath, Tanja; van Westen, Thijs; Gross, Joachim, 2021, "Supporting Information: Solute Configurations in n-hexane, cyclohexane and benzene", https://doi.org/10.18419/darus-1734, DaRUS, V1

This data set contains the intramolecular configurations of the considered solute molecules in n-hexane, cyclohexane and benzene used to calculate solvation free energies using classical density functional theory based on the PC-SAFT equation of state. The files include the carte...

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