GitHub topics: unifac
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.
Language: Julia - Size: 78.9 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 250 - Forks: 63
lvpp/jcosmo-docs
JCOSMO documentation
Language: TeX - Size: 2.51 MB - Last synced at: 10 days ago - Pushed at: 10 days ago - Stars: 0 - Forks: 2
ipqa-research/yaeos
Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities
Language: Fortran - Size: 44.8 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 32 - Forks: 5
ClapeyronThermo/GCIdentifier.jl
tools to perform group contribution (GC) identification, given the SMILES of a compound
Language: Julia - Size: 862 KB - Last synced at: about 6 hours ago - Pushed at: 27 days ago - Stars: 20 - Forks: 4
ipqa-research/ugropy
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, Joback, and Abdulelah-Gani models are implemented.
Language: Python - Size: 34.9 MB - Last synced at: 28 days ago - Pushed at: 28 days ago - Stars: 21 - Forks: 2
lvpp/sigma
LVPP sigma-profile database + COSMO-SAC parametrizations
Language: Python - Size: 6.57 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 63 - Forks: 28
CarlosTrujilloGonzalez/FreeFluidsC
Physical properties calculation using EOS and correlations
Language: C - Size: 1.03 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 8 - Forks: 2
Spogis/Get_UNIFAC_Groups
Easy determine UNIFAC Groups
Language: Python - Size: 2.93 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 4 - Forks: 1
andizuend/AIOMFAC
Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web)
Language: Fortran - Size: 2.88 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 11 - Forks: 7
CarlosTrujilloGonzalez/FreeFluidsGui
Graphical interface to FreeFluidsC
Language: C++ - Size: 51.4 MB - Last synced at: 6 months ago - Pushed at: over 5 years ago - Stars: 7 - Forks: 0
aakanksha-gubbala/unifac
Implementation of UNIFAC group contribution method in MATLAB
Language: MATLAB - Size: 10.7 KB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 4 - Forks: 1
Peter-Edwards/UNIFACtor.jl
UNIFACtor.jl is a thermodynamics package for Julia
Language: Julia - Size: 156 KB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0
longemen3000/UNIFAC-excess
UNIFAC described in terms of excess gibbs free energy
Size: 1.95 KB - Last synced at: 5 months ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0
mdpetters/KAFGA
MATLAB/GNU Octave code to predict the hygroscopicity parameter kappa for organic compounds from functional group composition.
Language: Matlab - Size: 37.6 MB - Last synced at: over 1 year ago - Pushed at: about 7 years ago - Stars: 1 - Forks: 1
