Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities
A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries. UNIFAC, PSRK, and Joback models are implemented.
Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web)
tools to perform group contribution (GC) identification, given the SMILES of a compound
Physical properties calculation using EOS and correlations
Graphical interface to FreeFluidsC
Implementation of UNIFAC group contribution method in MATLAB
MATLAB/GNU Octave code to predict the hygroscopicity parameter kappa for organic compounds from functional group composition.
UNIFACtor.jl is a thermodynamics package for Julia
UNIFAC described in terms of excess gibbs free energy
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