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  • Installation
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  • 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
  • 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
    • How to perform chemical kinetics calculations
  • Miscellaneous
    • Defining materials
  • Advanced
    • Creating thermodynamic databases
  • Bibliography

Applications

  • Solubility
    • Calcite solubility in water, rainwater, and seawater
    • Carbon-dioxide solubility in brines with different salinity and temperature
  • Geobiology
    • Carbonate-rich lakes modeling on the early Earth
    • Phosphate accumulation in carbonate-rich brines
  • Ion-exchange
    • Ion exchange in dune sand and groundwater
    • Extraction of exchangeable cations in dune sand
    • Ion exchange competition among NaX, KX, and CaX 2
    • Effect of calcite dissolution on exchangeable cations
  • ThermoFun
    • Addition of limestone to the cement recipe
    • Uranium (VI) speciation as a function of pH at fixed CO 2 partial pressure
  • Miscellaneous
    • Dependence of the pH on the added carbon dioxide amount
    • pH-dependence on added contaminants in water
    • Analysis of the Evian water
    • Opening bottle with sparkling water

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Ion-exchange

Ion-exchange#

This section presents capabilities of Reaktoro for ion exchange modeling.

  • Ion exchange in dune sand and groundwater
  • Extraction of exchangeable cations in dune sand
  • Ion exchange competition among NaX, KX, and CaX2
  • Effect of calcite dissolution on exchangeable cations

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Phosphate accumulation in carbonate-rich brines

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Ion exchange in dune sand and groundwater

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