Published September 28, 2026
| Version v0.27.0
Software
Open
ChemistryLab.jl: Numerical laboratory for computational chemistry
Description
Computational chemistry toolkit providing formula handling, species management, stoichiometric matrix construction, thermodynamic equilibrium via Gibbs free energy minimization, extended Debye-Hückel and Davies activity models, ideal and Redlich-Kister solid solution phases, interoperability with ThermoFun and Cemdata databases, and a kinetics module for mineral dissolution/precipitation coupled to ODE-based integration (Parrott-Killoh model, semi-adiabatic calorimetry). Initially focused on cement chemistry but applicable more broadly.
Files
MicroPoroChemoMechanics/ChemistryLab.jl-v0.27.0.zip
Files
(2.9 MB)
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md5:f6dc5b114f771987c26bd18895cbdc30
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Additional details
Related works
- Is new version of
- Software: 10.5281/zenodo.17756074 (DOI)
Software
- Repository URL
- https://github.com/MicroPoroChemoMechanics/ChemistryLab.jl