We investigate the flow structure and the porosity-permeability relationship of porous media that undergo morphology modifications due to evaporation or microbially induced calcite precipitation, as well as wettability modifications of the solid-fluid interface due to fluid pH, composition, or salt con¬centration changes. We develop simulation methods based on coupled multi-phase and multi-component Lattice-Boltzmann and solute molecular dynamics simulations, capable of reproducing these processes in detail on the pore scale, yielding results to be used to improve existing continuum models.
Featured Dataverses

In order to use this feature you must have at least one published or linked dataverse.

Publish Dataverse

Are you sure you want to publish your dataverse? Once you do so it must remain published.

Publish Dataverse

This dataverse cannot be published because the dataverse it is in has not been published.

Delete Dataverse

Are you sure you want to delete your dataverse? You cannot undelete this dataverse.

Advanced Search

231 to 240 of 323 Results
Mar 9, 2023 - NMR investigation of water confined by salt interface
Gravelle, Simon; Holm, Christian; Schlaich, Alexander, 2023, "Molecular simulation scripts for slit nanopores", https://doi.org/10.18419/DARUS-3180, DaRUS, V1
GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration with a given salt concentration can be generated using the Python script ConfigurationGenerator.py, and successive GROMACS runs can be performed by running the runall.sh Bash...
Fixed Field Text Data - 321 B - MD5: ecd4332c63124c138329b9baf537a35f
Angle info SO4
Unknown - 319 B - MD5: 72e5c1347633df250f409482b5c4e2c3
GROMACS ff file
Fixed Field Text Data - 163 B - MD5: 4d20a756556b7e45629fff3ac09a16e8
Bond info SO4
Unknown - 1.1 MB - MD5: e4e3de1c2fb38e56db2ff1f9c7f64b88
GROMACS configuration file
Unknown - 1.2 MB - MD5: 513eff91bb107bd3a801bc7563e49f60
GROMACS configuration file
Add Data

Log in to create a dataverse or add a dataset.

Share Dataverse

Share this dataverse on your favorite social media networks.

Link Dataverse
Reset Modifications

Are you sure you want to reset the selected metadata fields? If you do this, any customizations (hidden, required, optional) you have done will no longer appear.