SFB 1313 is an interdisciplinary Collaborative Research Centre of the University of Stuttgart, consisting of four major project areas (A-D), divided in 17 individual research projects. It is funded by the German Research Foundation (DFG) and affiliated to the Cluster of Excellence "Data-integrated Simulation Science (SimTech)".

Interfaces have a great impact on multi-field processes (flow, transport and deformation) in porous-media systems. SFB 1313 aims to research these interfaces and to gain a fundamental understanding how they affect multi-field processes. An important step is therefore to quantify how the dynamics of fluid-fluid and fluid-solid interfaces in porous-media systems are affected by pore geometry, heterogeneity and fractures. Furthermore, developing experimental knowledge as well as mathematical and computational models will support SFB 1313‘s research.

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Comma Separated Values - 14.6 KB - MD5: 16c793041778eb6065225747d68a5c49
Solvation free energies from PC-SAFT DFT, the PC-SAFT equation of state and experimental data from the MNSOL database.
Comma Separated Values - 4.8 KB - MD5: 5e28c61cf6b0b782f0aa02d960fe3ff8
Solvation free energies from PC-SAFT DFT, the PC-SAFT equation of state and experimental data from the MNSOL database.
Unknown - 528 B - MD5: d5fbcc179929eafc035feb8604f5c621
Gromacs simulation file for the minimization
Comma Separated Values - 1.8 KB - MD5: 0a48b4083786b92f45782f61b7d7a9dc
Solvation free energies from PC-SAFT DFT, the PC-SAFT equation of state and experimental data from the MNSOL database.
Unknown - 1.5 KB - MD5: 107a8b20d01f79cdc2f03a27406a31e8
Gromacs simulation file for the npt simulation step
Unknown - 1.4 KB - MD5: c3c71c3f1fe451427662e3e9bb9106a5
Gromacs simulation file for the nvt simulation step
Comma Separated Values - 3.1 KB - MD5: b074de190232b07a67ab41822894aa20
Solvation free energies from PC-SAFT DFT, the PC-SAFT equation of state and experimental data from the MNSOL database.
Comma Separated Values - 2.2 KB - MD5: 1ae25d97e35c3b1c6e672e05cb89a80b
Solvation free energies from PC-SAFT DFT, the PC-SAFT equation of state and experimental data from the MNSOL database.
ZIP Archive - 32.3 MB - MD5: 06c3299d0e207f5ef0b31b0033473af8
Primary (molecular simulation data: trajectories, topologies, simulation parameters) for the calculation of solvation free energies.
JSON - 5.7 KB - MD5: 9e164f73d23ee1ef43508e5572c60532
PC-SAFT parameters for calculating solvation free energies,
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