1 to 10 of 13 Results
Aug 4, 2023 - Publication: Microfluidic experiments
Karadimitriou, Nikolaos; Lee, Dongwon; Steeb, Holger, 2023, "Visual characterization of displacement processes in porous media", https://doi.org/10.18419/darus-3615, DaRUS, V1
This dataset correlates to the submitted article to IEEE VIS 2023, entitled “Visual Analysis of Displacement Processes in Porous Media using Spatio-Temporal Flow Graphs”, by Straub et al. 2023. More specifically, this data set is the one used to create the graphs shown in all Fig... |
Mar 1, 2024 - A01: Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances
Bursik, Benjamin; Eller, Johannes; Gross, Joachim, 2024, "Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data", https://doi.org/10.18419/darus-3756, DaRUS, V1, UNF:6:0QTV2eSt2s5RktyiTCTmAg== [fileUNF]
This dataset contains three types of data: 1) Jupyter notebooks (.ipynb) for the calculation of solvation free energies and for the recreation of all figures in the publication; 2) Gromacs files containing the solute and solvent topology (.gro, .itp, .top), the trajectories (.trr... |
Mar 29, 2021 - Institute of Thermodynamics and Thermal Process Engineering
Sauer, Elmar; Gross, Joachim, 2021, "Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'", https://doi.org/10.18419/darus-1643, DaRUS, V1
This dataset contains simulation results in ASCII format accompanying the mentioned publication. The filename is structured in the following kind: Number of the figure in which the data is shown, method of simulation (TMMC Transition Matrix Monte Carlo, DFT Density Functional The... |
Lohrmann, Christoph; Holm, Christian, 2023, "Replication Data for: Lohrmann, Holm: Optimal motility strategies for self-propelled agents to explore porous media", https://doi.org/10.18419/darus-3608, DaRUS, V1
Code, Data and additional Material for "Optimal motility strategies for self-propelled agents to explore porous media". For details, see README.md |
Aug 15, 2023 - C01: A Lattice-Boltzmann investigation of two-phase electrolyte flow in porous structures with morphology alterations and tunable interfacial wetting behaviour
Lohrmann, Christoph; Holm, Christian, 2023, "Replication Data for: Lohrmann, Holm: A novel model for biofilm initiation in porous media flow", https://doi.org/10.18419/darus-3680, DaRUS, V1
Code and Data for "A novel model for biofilm initiation in porous media flow". For details, see README.md |
Dec 11, 2023 - C01: A Lattice-Boltzmann investigation of two-phase electrolyte flow in porous structures with morphology alterations and tunable interfacial wetting behaviour
Lohrmann, Christoph; Holm, Christian, 2023, "Replication Data for: Lohrmann, Holm, Datta: Influence of bacterial motility and hydrodynamics on phage bacteria encounters", https://doi.org/10.18419/darus-3836, DaRUS, V1
Code and Data for "Influence of bacterial motility and hydrodynamics on phage bacteria encounters". For details, see README.md |
Apr 23, 2024 - Simulation input scripts to study Transport of Water In Soft confinemenT (TWIST)
Schlaich, Alexander, 2024, "Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials", https://doi.org/10.18419/darus-3966, DaRUS, V1
Simulation input scripts used for "Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials" The folders the corresponding simulation and analysis files to setup the simulation systems (SETUP), perform the GCMC/MD simulations (ISOTHER... |
Sep 12, 2023 - Publication: Microfluidic experiments
Karadimitriou, Nikolaos; Steeb, Holger; Valavanides, Marios, 2022, "Pressure and volumetric flux measurements intended to scale relative permeability under steady state, co-flow conditions, in a PDMS micromodel", https://doi.org/10.18419/darus-2816, DaRUS, V2
The current repository contains raw data collected during a systematic laboratory study, examining the flow rate dependency of steady-state, co-injection of two-immiscible fluids within a microfluidic pore network model. The study is presented in the paper by Karadimitriou et al.... |
Oct 11, 2023 - NMR insights into nanoconfined water using the surface exchange model
Gravelle, Simon, 2023, "Molecular simulation scripts for slit nanopores with tunable hydrophilicity", https://doi.org/10.18419/darus-3732, DaRUS, V1
GROMACS molecular simulation input files for slit nanopores filled with liquid water. Initial configuration can be generated using the Python script build_system.py. Use the bash script run_gmx.sh to run GROMACS. See the README.md file. |
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 s... |
