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Mar 17, 2021A01: Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances
This dataverse 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 cart... |
Mar 16, 2021D02: Parallel numerical coupling methods for interface problems
This dataverse collects data and codes for coupling free flow and porous-media flow with DuMuX and preCICE. More specifically, the results have been presented in the publication: Jaust A., Weishaupt K., Mehl M., Flemisch B. (2020) Partitioned Coupling Schemes for Free-Flow and Po... |