Thermotools is the repository on Github where we make the computational code developed through our research available to everybody, open-source.
Some of the sub-repositories in Thermotools are:
- Thermopack: Our in-house thermodynamic framework that contains a large selection of equations of state, some developed by us. It can also be used to calculate thermodynamic properties of fluids and solid, perform phase calculations and much more.
- DFTPack: Our implementation in python of a density functional theory to calculate interfacial properties, which uses Thermopack for thermodynamic calculations.
- KGTPack: An implementation of revised Enskog Theory to calculate transport properties of dilute and moderately dense fluid mixtures, such as diffusion coefficients, thermal diffusion coefficients, thermal conductivities, shear and bulk viscosities.
Flexible Python wrapper
Plot thermodynamic phase diagrams easily with the most frequently used equations of state. The graphical user interface is currently running on the Windows and Linux operating systems.
Written in modern FORTRAN
Can handle heavy numerical computations associated with process and computational fluid dynamics (CFD) simulations.