surfpack


Namesurfpack JSON
Version 0.0.0 PyPI version JSON
download
home_pagehttps://github.com/thermotools/surfpack
SummaryDensity Functional Theory for surfaces and interfaces
upload_time2024-02-15 21:03:32
maintainer
docs_urlNone
authorVegard Gjeldvik Jervell
requires_python>=3.9
license
keywords physics thermodynamics equations_of_state phase_equilibria saft dft density_functional_theory
VCS
bugtrack_url
requirements No requirements were recorded.
Travis-CI No Travis.
coveralls test coverage No coveralls.
            # 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](https://thermotools.github.io/thermopack/) python interface.

For documentation, installation- and getting started guides, see the [SurfPack homepage](https://thermotools.github.io/SurfPack).


# 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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