1 to 10 of 21 Results
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... |
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... |
Oct 28, 2022 - B03: Heterogeneous multi-scale methods for two-phase flow in dynamically fracturing porous media
Burbulla, Samuel; Hörl, Maximilian; Rohde, Christian, 2022, "Source Code for: Flow in Porous Media with Fractures of Varying Aperture", https://doi.org/10.18419/darus-3012, DaRUS, V1
Python source code to replicate the results in [S. Burbulla, M. Hörl, and C. Rohde (2022). "Flow in Porous Media with Fractures of Varying Aperture." Submitted for publication, https://doi.org/10.48550/arXiv.2207.09301]. The contained Python package "mmdgpy" is an implementation... |
May 18, 2021 - Dual-network model
Müller, Johannes; Koch, Timo; Weishaupt, Kilian, 2021, "Setup and Data for: 3D conjugate heat transfer simulation in a Berea sandstone sample", https://doi.org/10.18419/darus-1806, DaRUS, V1
This Dataset contains the fluid and solid temperature fields used as reference in the Related Publication (doi:10.1007/s11242-021-01602-5). It results from a 3D conjugate heat transfer simulation of a Berea sandstone sample. The Mesh was extracted from an CT-image provided by Don... |
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... |
Mar 25, 2021 - Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces
Jaust, Alexander; Weishaupt, Kilian; Flemisch, Bernd; Schulte, Miriam, 2021, "Replication Data for: Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces", https://doi.org/10.18419/darus-1644, DaRUS, V1
This repository contains simulation data used in https://doi.org/10.1007/978-3-030-43651-3_57 including the scripts for determining the errors presented in the publication. Additional results for Navier-Stokes flow has been added. Further information on the dataset, its structure... |
Oct 28, 2022 - B03: Heterogeneous multi-scale methods for two-phase flow in dynamically fracturing porous media
Burbulla, Samuel; Hörl, Maximilian; Rohde, Christian, 2022, "Replication Data for: Flow in Porous Media with Fractures of Varying Aperture", https://doi.org/10.18419/darus-3227, DaRUS, V1
This data set contains the simulation data for the results presented in [S. Burbulla, M. Hörl, and C. Rohde (2022). "Flow in Porous Media with Fractures of Varying Aperture." Submitted for publication, https://doi.org/10.48550/arXiv.2207.09301]. We consider the numerical solution... |
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... |
Feb 16, 2024 - C-X5
Kiemle, Stefanie; Schneider, Jana; Heck, Katharina, 2024, "Replication data for analyzing stable water isotopologue transport within soils using fractionation parameterizations", https://doi.org/10.18419/darus-3572, DaRUS, V1
Replication data to reproduce the results presented in J. Schneider & S. Kiemle, K. Heck, Y. Rothfuss, I. Braud, R. Helmig, J. Vanderborght (2024) Analysis of Experimental and Simulation Data of Evaporation-Driven Isotopic Fractionation in Unsaturated Porous Media. (Under review)... |
Emmert, Simon; Class, Holger; Davis, Katherine; Gerlach, Robin, 2020, "Replication data for "Importance of Specific Substrate Utilization by Microbes in Microbially Enhanced Coal-Bed Methane Production: A Modelling Study"", https://doi.org/10.18419/darus-636, DaRUS, V1, UNF:6:etoZeSymT82caAlH+cVtVA== [fileUNF]
This contains the generated DuMuX model output (VTK files), extracted output (Python script) and plots (png) for the publication "Importance of Specific Substrate Utilization by Microbes in Microbially Enhanced Coal-Bed Methane Production: A Modelling Study" in International Jour... |
