Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
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Updated
Sep 22, 2024 - Julia
Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web)
Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities
Physical properties calculation using EOS and correlations
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.
tools to perform group contribution (GC) identification, given the SMILES of a compound
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.
Graphical interface to FreeFluidsC
UNIFACtor.jl is a thermodynamics package for Julia
UNIFAC described in terms of excess gibbs free energy
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