Density Functional Theory for surfaces and interfaces
Project description
SurfPack
SurfPack is a library for computation of interfacial properties of fluids, and the properties of fluids at interfaces and in confined systems. The library includes an interface to Classical Density Functional theory, with implementations of several SAFT-based functionals. The package is implemented in pure python, building on the ThermoPack python interface.
For documentation, installation- and getting started guides, see the SurfPack homepage.
References
- J. Mairhofer, J. Gross, Fluid Phase Equilib., 444, 1-12, 2017.
- E. Sauer, J. Gross, Ind. Eng. Chem. Res., 56, 4119, 2017.
- Heier et al., Mol. Phys., 116, 2018. (10.1080/00268976.2018.1447153)
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