Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with unifac
A curated list of projects in awesome lists tagged with unifac .
https://github.com/clapeyronthermo/clapeyron.jl
Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
cosmo-sac equation-of-state julia molecular-modeling phase-equilibria phase-equilibrium saft solvers thermodynamics unifac
Last synced: 15 Dec 2024
https://github.com/ClapeyronThermo/Clapeyron.jl
Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
cosmo-sac equation-of-state julia molecular-modeling phase-equilibria phase-equilibrium saft solvers thermodynamics unifac
Last synced: 15 Oct 2024
https://github.com/ipqa-research/yaeos
Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities
automatic-differentiation equation-of-state fortran fortran-package-manager nrtl peng-robinson rkpr soaveredlichkwong thermodynamics unifac
Last synced: 14 Nov 2024
https://github.com/clapeyronthermo/gcidentifier.jl
tools to perform group contribution (GC) identification, given the SMILES of a compound
group-contribution joback smiles-strings unifac
Last synced: 07 Nov 2024
https://github.com/ipqa-research/ugropy
A Python library designed to swiftly and effortlessly obtain the UNIFAC groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries.
chemical chemical-engineering compound contribution engineering excess fragmentation functional gibbs group groups grupal joback molecule properties pure python thermodynamics unifac
Last synced: 09 Oct 2024
https://github.com/longemen3000/unifac-excess
UNIFAC described in terms of excess gibbs free energy
activity excess-gibbs thermodynamic-models unifac
Last synced: 21 Nov 2024
