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🚀 Reaktoro v2 is finally out, after so many release candidates! This is the result of intense work over the last three years. Please let us know how to improve Reaktoro!
Reaktoro
Get Started
Installation
Installation using Conda
Installation using CMake
Installation in Google Colab
API Reference
Reaktoro v1
Tutorials
Basics
Importing Reaktoro
Loading thermodynamic databases
Inspecting thermodynamic databases
Defining chemical systems
Creating chemical states
Computing chemical properties
Computing aqueous properties
Computing standard thermodynamic properties of species
Computing standard thermodynamic properties of reactions
Specifying activity models
Defining materials
Chemical Equilibrium
Chemical equilibrium: the basics
Chemical equilibrium with constraints
Chemical equilibrium with fixed pH
Chemical equilibrium with fixed pH and charge balance
Chemical equilibrium with fixed phase amount
Chemical equilibrium with fixed fugacity
Chemical equilibrium with fixed volume and internal energy
Chemical equilibrium with custom constraints
Chemical equilibrium with given element and charge amounts
Chemical Kinetics
Chemical kinetics: the basics
Chemical kinetics for mineral reactions using Palandri-Kharaka model
Chemical kinetics for mineral reactions using custom surface area models
Machine Learning
Machine learning: the basics
Advanced
Creating thermodynamic databases
Bibliography
Applications
Solubility
Calcite solubility in water, rainwater, and seawater
Carbon-dioxide solubility in brines with different salinity and temperature
Geochemistry
Carbon dioxide (COâ‚‚) dissolution in seawater
pH-dependence on added contaminants in water
Analysis of the Evian water
Opening bottle with sparkling water
Uranium (VI) speciation as a function of pH at fixed CO
2
partial pressure
The effect of limestone addition on a hydrated cement mix
Ion exchange in dune sand and groundwater
Extraction of exchangeable cations in dune sand
Cation exchange competition among Na
+
, K
+
and Ca
2+
Effect of calcite dissolution on exchangeable cations
Geobiology
Carbonate-rich lakes modeling on the early Earth
Phosphate accumulation in carbonate-rich brines
Biomass Gasification
Biomass Gasification
General
Citing
FAQ
Troubleshooting
Contributing
License
Development
repository
open issue
Index
