MATLAB/GNU Octave code to predict the hygroscopicity parameter kappa for organic compounds from functional group composition.
-
Updated
Jun 2, 2018 - MATLAB
MATLAB/GNU Octave code to predict the hygroscopicity parameter kappa for organic compounds from functional group composition.
Physical properties calculation using EOS and correlations
Graphical interface to FreeFluidsC
Implementation of UNIFAC group contribution method in MATLAB
UNIFAC described in terms of excess gibbs free energy
UNIFACtor.jl is a thermodynamics package for Julia
Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web)
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.
Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities
Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
tools to perform group contribution (GC) identification, given the SMILES of a compound
Add a description, image, and links to the unifac topic page so that developers can more easily learn about it.
To associate your repository with the unifac topic, visit your repo's landing page and select "manage topics."