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unifac

Here are 12 public repositories matching this topic...

lvpp / sigma

LVPP sigma-profile database + COSMO-SAC parametrizations

database activity sigma cosmo gamess mopac unifac cosmo-sac cosmo-rs f-sac

Updated Jun 12, 2025
Python

ipqa-research / yaeos

Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities

fortran automatic-differentiation thermodynamics equation-of-state unifac peng-robinson nrtl fortran-package-manager soaveredlichkwong rkpr

Updated Aug 29, 2025
Fortran

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.

python engineering groups functional pure molecule chemical properties thermodynamics chemical-engineering compound contribution group gibbs fragmentation excess unifac grupal joback

Updated Jul 23, 2025
Python

andizuend / AIOMFAC

Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web)

fortran solution aerosol computational-chemistry thermodynamics activity mixing fortran-modules modern-fortran chemical-potential unifac aiomfac activity-coefficients aiomfac-web water-activity thermodynamic-models organic-inorganic aiomfac-visc aiomfac-model

Updated Sep 1, 2025
Fortran

ClapeyronThermo / GCIdentifier.jl

tools to perform group contribution (GC) identification, given the SMILES of a compound

unifac smiles-strings group-contribution joback

Updated Sep 1, 2025
Julia

Spogis / Get_UNIFAC_Groups

Easy determine UNIFAC Groups

app thermodynamics unifac

Updated Jul 23, 2024
Python

CarlosTrujilloGonzalez / FreeFluidsC

Physical properties calculation using EOS and correlations

chemical-engineering equation-of-state vle physical-properties eos equilibrium unifac pc-saft saftvr-mie uniquac activity-models

Updated Jan 30, 2025
C

CarlosTrujilloGonzalez / FreeFluidsGui

Graphical interface to FreeFluidsC

chemical-engineering equation-of-state vle activity physical-properties eos saft equilibria unifac pc-saft saftvr-mie uniquac

Updated Jan 6, 2020
C++

aakanksha-gubbala / unifac

Implementation of UNIFAC group contribution method in MATLAB

thermodynamics chemical-engineering unifac

Updated Jan 15, 2022
MATLAB

mdpetters / KAFGA

MATLAB/GNU Octave code to predict the hygroscopicity parameter kappa for organic compounds from functional group composition.

aerosol thermodynamics kappa ccn hygroscopicity unifac

Updated Jun 2, 2018
MATLAB

Peter-Edwards / UNIFACtor.jl

UNIFACtor.jl is a thermodynamics package for Julia

thermodynamics activity unifac

Updated Mar 18, 2023
Julia

lvpp / jcosmo-docs

JCOSMO documentation

models thermodynamics equation-of-state cosmo unifac jcosmo

Updated Aug 10, 2025
TeX

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