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from reaktoro import * db = PhreeqcDatabase("pitzer.dat") solution = AqueousPhase() solution.set(ActivityModelPitzer()) gases = GaseousPhase("CO2(g) H2O(g)") gases.set(ActivityModelPengRobinson()) minerals = MineralPhases("Halite Calcite Dolomite Quartz") system = ChemicalSystem(db, solution, gases, minerals) state = ChemicalState(system) state.temperature(60.0, "°C") state.pressure(90.0, "bar") state.set("H2O", 1.0, "kg") state.set("Na+", 1.0, "mol") state.set("Cl-", 1.0, "mol") state.set("CO2(g)", 5.0, "mol") state.set("Calcite", 1.0, "g") state.set("Dolomite", 1.0, "g") state.set("Quartz", 1.0, "g") result = equilibrate(state) assert result.succeeded() aprops = AqueousProps(state) print(state) print(aprops)
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