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
Nov 13, 2024 - Julia
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.
tools to perform group contribution (GC) identification, given the SMILES of a compound
Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web)
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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