def equilibrium_inverse_with_h2o_nacl_caco3_co2_fixed_mass_amount_and_alkalinity(): """ Build a problem with H2O, NaCl, CaCO3, CO2 and Calcite with fixed values of Species Mass, Amount and alkalinity """ editor = ChemicalEditor() editor.addAqueousPhase("H2O NaCl CaCO3") editor.addGaseousPhase(["H2O(g)", "CO2(g)"]) editor.addMineralPhase("Calcite") system = ChemicalSystem(editor) problem = EquilibriumInverseProblem(system) problem.add("H2O", 1, "kg") problem.add("NaCl", 0.1, "mol") problem.fixSpeciesMass("Calcite", 100, "g") problem.fixSpeciesAmount("CO2(g)", 1.0, "mol") problem.alkalinity(25.0, "meq/L", "Cl") return (system, problem)
def equilibrium_inverse_with_h2o_nacl_caco3_calcilte_and_fixed_mass(): """ Build a problem with H2O, NaCL, CaCO3, CO2, Calcite with fixed species mass and amount """ database = Database("supcrt98.xml") editor = ChemicalEditor(database) editor.addAqueousPhase("H2O NaCl CaCO3") editor.addGaseousPhase(["H2O(g)", "CO2(g)"]) editor.addMineralPhase("Calcite") system = ChemicalSystem(editor) problem = EquilibriumInverseProblem(system) problem.add("H2O", 1, "kg") problem.add("NaCl", 0.1, "mol") problem.fixSpeciesMass("Calcite", 100, "g") problem.fixSpeciesAmount("CO2(g)", 1.0, "mol") return (system, problem)