unifac
There are 12 repositories under unifac topic.
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.
lvpp/sigma
LVPP sigma-profile database + COSMO-SAC parametrizations
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.
ClapeyronThermo/GCIdentifier.jl
tools to perform group contribution (GC) identification, given the SMILES of a compound
andizuend/AIOMFAC
Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web)
CarlosTrujilloGonzalez/FreeFluidsC
Physical properties calculation using EOS and correlations
CarlosTrujilloGonzalez/FreeFluidsGui
Graphical interface to FreeFluidsC
aakanksha-gubbala/unifac
Implementation of UNIFAC group contribution method in MATLAB
Spogis/Get_UNIFAC_Groups
Easy determine UNIFAC Groups
mdpetters/KAFGA
MATLAB/GNU Octave code to predict the hygroscopicity parameter kappa for organic compounds from functional group composition.
Peter-Edwards/UNIFACtor.jl
UNIFACtor.jl is a thermodynamics package for Julia
longemen3000/UNIFAC-excess
UNIFAC described in terms of excess gibbs free energy