diff --git a/examples/full_configuration.json b/examples/full_configuration.json index 3852140..f49a963 100644 --- a/examples/full_configuration.json +++ b/examples/full_configuration.json @@ -96,6 +96,7 @@ "reactions": [ { "type": "HL_PHASE_TRANSFER", + "gas-phase": "gas", "gas-phase species": "H2O2", "aerosol phase": "aqueous aerosol", "aerosol-phase species": "H2O2_aq", @@ -104,6 +105,7 @@ }, { "type": "SIMPOL_PHASE_TRANSFER", + "gas-phase": "gas", "gas-phase species": "ethanol", "aerosol phase": "aqueous aerosol", "aerosol-phase species": "ethanol_aq", @@ -117,6 +119,7 @@ }, { "type": "AQUEOUS_EQUILIBRIUM", + "gas-phase": "gas", "aerosol phase": "aqueous aerosol", "aerosol-phase water": "H2O_aq", "A": 1.14e-2, @@ -186,6 +189,7 @@ }, { "type": "EMISSION", + "gas-phase": "gas", "reactants": [ { "species name": "B", @@ -197,6 +201,7 @@ }, { "type": "FIRST_ORDER_LOSS", + "gas-phase": "gas", "products": [ { "species name": "C", @@ -208,6 +213,7 @@ }, { "type": "PHOTOLYSIS", + "gas-phase": "gas", "reactants": [ { "species name": "B", @@ -225,6 +231,7 @@ }, { "type": "SURFACE", + "gas-phase": "gas", "gas-phase reactant": "foo", "reaction probability": 2.0e-2, "gas-phase products": { @@ -237,34 +244,15 @@ "name": "my surface" }, { - "type": "TERNARY_CHEMICAL_ACTIVATION", + "type": "TROE", + "gas-phase": "gas", "reactants": [ { "species name": "B", "coeff": 1 - } - ], - "products": [ - { - "species 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, - "name": "my ternary" - }, - { - "type": "TROE", - "reactants": [ + }, { - "species name": "B", + "species name": "M", "coeff": 1 } ], @@ -285,7 +273,8 @@ "name": "my troe" }, { - "type": "WENNBERG_NO_RO2", + "type": "BRANCHED_NO_RO2", + "gas-phase": "gas", "reactants": [ { "species name": "A", @@ -308,16 +297,36 @@ "Y": 167, "a0": 0.15, "n": 9, - "name": "my wennberg" + "name": "my branched" + }, + { + "type" : "TUNNELING", + "A" : 123.45, + "B" : 1200.0, + "C" : 1.0e8, + "reactants": [ + { + "species name": "B", + "coeff": 1 + } + ], + "products": [ + { + "species name": "C", + "coeff": 1 + } + ] }, { "type": "WET_DEPOSITION", + "gas-phase": "gas", "aerosol phase": "cloud", "name": "rxn cloud", "scaling factor": 12.3 }, { "type": "ARRHENIUS", + "gas-phase": "gas", "reactants": [ { "species name": "B",