diff --git a/examples/full_configuration.json b/examples/full_configuration.json new file mode 100644 index 0000000..f1e26d9 --- /dev/null +++ b/examples/full_configuration.json @@ -0,0 +1,397 @@ +{ + "camp-data": [ + { + "type": "RELATIVE_TOLERANCE", + "value": 1.0e-30 + }, + { + "name": "A", + "type": "CHEM_SPEC", + "absolute tolerance": 1.0e-30 + }, + { + "name": "B", + "type": "CHEM_SPEC", + "absolute tolerance": 1.0e-30 + }, + { + "name": "C", + "type": "CHEM_SPEC", + "absolute tolerance": 1.0e-30 + }, + { + "name": "H2O2", + "type": "CHEM_SPEC", + "HLC(298K) [M Pa-1]": 1.011596348, + "HLC exp factor [K]": 6340, + "diffusion coeff [m2 s-1]": 1.46E-05, + "N star": 1.74, + "molecular weight [kg mol-1]": 0.0340147, + "density [kg m-3]": 1000.0, + "absolute tolerance": 1.0e-10 + }, + { + "name": "ethanol", + "type": "CHEM_SPEC", + "diffusion coeff [m2 s-1]": 0.95E-05, + "N star": 2.55, + "molecular weight [kg mol-1]": 0.04607, + "absolute tolerance": 1.0e-20 + }, + { + "name": "ethanol_aq", + "type": "CHEM_SPEC", + "phase": "AEROSOL", + "molecular weight [kg mol-1]": 0.04607, + "density [kg m-3]": 1000.0, + "absolute tolerance": 1.0e-20 + }, + { + "name": "H2O2_aq", + "type": "CHEM_SPEC", + "phase": "AEROSOL", + "molecular weight [kg mol-1]": 0.0340147, + "density [kg m-3]": 1000.0, + "absolute tolerance": 1.0e-10 + }, + { + "name": "H2O_aq", + "type": "CHEM_SPEC", + "phase": "AEROSOL", + "density [kg m-3]": 1000.0, + "molecular weight [kg mol-1]": 0.01801 + }, + { + "name": "aqueous aerosol", + "type": "AERO_PHASE", + "species": [ + "H2O2_aq", + "H2O_aq", + "ethanol_aq" + ] + }, + { + "name": "aerosol stuff", + "type": "CHEM_SPEC", + "phase": "AEROSOL", + "molecular weight [kg mol-1]": 0.5, + "density [kg m-3]": 1000.0, + "absolute tolerance": 1.0e-20 + }, + { + "name": "more aerosol stuff", + "type": "CHEM_SPEC", + "phase": "AEROSOL", + "molecular weight [kg mol-1]": 0.2, + "density [kg m-3]": 1000.0, + "absolute tolerance": 1.0e-20 + }, + { + "name": "surface reacting phase", + "type": "AERO_PHASE", + "species": [ + "aerosol stuff", + "more aerosol stuff" + ] + }, + { + "name": "cloud", + "type": "AERO_PHASE", + "species": [ + "B", + "C" + ] + }, + { + "name": "CMAQ_H2O2", + "type": "MECHANISM", + "reactions": [ + { + "type": "CMAQ_H2O2", + "reactants": [ + { + "speices name": "B", + "coeff": 1 + } + ], + "products": [ + { + "speices name": "C", + "coeff": 1 + } + ], + "k1_A": 1476.0, + "k1_B": 60, + "k1_C": -398, + "k2_A": 4e-20, + "k2_B": 1.5, + "k2_C": -2, + "time unit": "MIN", + "rxn id": "my cmaq2" + }, + { + "type": "CMAQ_OH_HNO3", + "reactants": [ + { + "speices name": "B", + "coeff": 1 + } + ], + "products": [ + { + "speices name": "C", + "coeff": 1 + } + ], + "k0_A": 1476.0, + "k0_B": 60, + "k0_C": -398, + "k2_A": 1350, + "k2_B": 58, + "k2_C": -450, + "k3_A": 4e-20, + "k3_B": 1.5, + "k3_C": -2, + "time unit": "MIN", + "rxn id": "my cmaq1" + }, + { + "type": "HL_PHASE_TRANSFER", + "gas-phase species": "H2O2", + "aerosol phase": "aqueous aerosol", + "aerosol-phase species": "H2O2_aq", + "aerosol-phase water": "H2O_aq", + "rxn id": "my henry's law" + }, + { + "type": "SIMPOL_PHASE_TRANSFER", + "gas-phase species": "ethanol", + "aerosol phase": "aqueous aerosol", + "aerosol-phase species": "ethanol_aq", + "B": [ + -1.97E+03, + 2.91E+00, + 1.96E-03, + -4.96E-01 + ], + "rxn id": "my simpl" + }, + { + "type": "AQUEOUS_EQUILIBRIUM", + "aerosol phase": "aqueous aerosol", + "aerosol-phase water": "H2O_aq", + "A": 1.14e-2, + "C": 2300.0, + "k_reverse": 0.32, + "ion pair": "B-C", + "reactants": [ + { + "speices name": "A", + "coeff": 2 + } + ], + "products": [ + { + "speices name": "B", + "coeff": 1 + }, + { + "speices name": "C", + "coeff": 1 + } + ], + "rxn id": "my aqueous eq" + }, + { + "type": "CONDENSED_PHASE_ARRHENIUS", + "aerosol phase": "aqueous aerosol", + "aerosol-phase water": "H2O_aq", + "units": "M", + "reactants": [ + { + "speices name": "A", + "coeff": 1 + }, + { + "speices name": "B", + "coeff": 1 + } + ], + "products": [ + { + "speices name": "C", + "coeff": 1 + } + ], + "rxn id": "my condensed arrhenius" + }, + { + "type": "CONDENSED_PHASE_PHOTOLYSIS", + "aerosol phase": "aqueous aerosol", + "aerosol-phase water": "H2O_aq", + "units": "M", + "reactants": [ + { + "speices name": "B", + "coeff": 1 + } + ], + "products": [ + { + "speices name": "C", + "coeff": 1 + } + ], + "scaling factor": 12.3, + "rxn id": "condensed photo B" + }, + { + "type": "EMISSION", + "species": "B", + "rxn id": "my emission", + "scaling factor": 12.3 + }, + { + "type": "FIRST_ORDER_LOSS", + "species": "B", + "rxn id": "my first order loss", + "scaling factor": 12.3 + }, + { + "type": "PHOTOLYSIS", + "reactants": [ + { + "speices name": "B", + "coeff": 1 + } + ], + "products": [ + { + "speices name": "C", + "coeff": 1 + } + ], + "rxn id": "photo B", + "scaling factor": 12.3 + }, + { + "type": "SURFACE", + "gas-phase reactant": "foo", + "reaction probability": 2.0e-2, + "gas-phase products": { + "bar": {}, + "baz": { + "yield": 0.4 + } + }, + "aerosol phase": "surface reacting phase", + "rxn id": "my surface" + }, + { + "type": "TERNARY_CHEMICAL_ACTIVATION", + "reactants": [ + { + "speices name": "B", + "coeff": 1 + } + ], + "products": [ + { + "speices name": "C", + "coeff": 1 + } + ], + "k0_A": 1.2e-6, + "k0_B": 167, + "k0_C": 3, + "kinf_A": 136e6, + "kinf_B": 5, + "kinf_C": 24, + "Fc": 0.9, + "N": 0.8, + "time unit": "MIN", + "rxn id": "my ternary" + }, + { + "type": "TROE", + "reactants": [ + { + "speices name": "B", + "coeff": 1 + } + ], + "products": [ + { + "speices name": "C", + "coeff": 1 + } + ], + "k0_A": 1.2e-12, + "k0_B": 167, + "k0_C": 3, + "kinf_A": 136, + "kinf_B": 5, + "kinf_C": 24, + "Fc": 0.9, + "N": 0.8, + "time unit": "MIN", + "rxn id": "my troe" + }, + { + "type": "WENNBERG_NO_RO2", + "reactants": [ + { + "speices name": "A", + "coeff": 1 + } + ], + "alkoxy products": [ + { + "speices name": "B", + "coeff": 1 + } + ], + "nitrate products": [ + { + "speices name": "C", + "coeff": 1 + } + ], + "X": 1.2e-4, + "Y": 167, + "a0": 0.15, + "n": 9, + "time unit": "MIN", + "rxn id": "my wennberg" + }, + { + "type": "WET_DEPOSITION", + "aerosol phase": "cloud", + "rxn id": "rxn cloud", + "scaling factor": 12.3 + }, + { + "type": "ARRHENIUS", + "reactants": [ + { + "speices name": "B", + "coeff": 1 + } + ], + "products": [ + { + "speices name": "C", + "coeff": 1 + } + ], + "A": 32.1, + "B": -2.3, + "C": 102.3, + "D": 63.4, + "E": -1.3, + "rxn id": "my arrhenius" + } + ] + } + ] +} \ No newline at end of file