Reaktoro

An open-source computational framework in C++ and Python for simulating chemically reactive processes. It computes chemical equilibrium under different conditions — fixed pH, fixed fugacity, charge balance and custom constraints — and the kinetics of mineral reactions. It lets you load, inspect and create thermodynamic databases. It is used in geochemistry, water treatment, underground CO2 injection and chemical processes. It suits users comfortable working in code; there is no graphical interface.