diff --git a/src/acom_music_box/examples/configs/ts1/camp_data/config.json b/src/acom_music_box/examples/configs/ts1/camp_data/config.json new file mode 100644 index 00000000..04d0ef28 --- /dev/null +++ b/src/acom_music_box/examples/configs/ts1/camp_data/config.json @@ -0,0 +1,6 @@ +{ + "camp-files": [ + "species.json", + "reactions.json" + ] +} diff --git a/src/acom_music_box/examples/configs/ts1/camp_data/reactions.json b/src/acom_music_box/examples/configs/ts1/camp_data/reactions.json new file mode 100644 index 00000000..c1d66510 --- /dev/null +++ b/src/acom_music_box/examples/configs/ts1/camp_data/reactions.json @@ -0,0 +1,6961 @@ +{ + "__comments": [ "This mechanism may contain refactored reactions based on custom", + "rate constant functions in mo_usrrxt.F90 in the CAM source code.", + "As this file could change at any time, it is important that you", + "do an md5 checksum of mo_usrrxt.F90 from the version of CAM you", + "are using. The value should be: 9783938d6c5977f1c3603cadfe254987" ], + "camp-data": [ + { + "name": "MZ327_TS1.2_20230307", + "type": "MECHANISM", + "reactions": [ + { + "type": "TROE", + "k0_A": 5.5e-30, + "kinf_A": 8.3e-13, + "kinf_B": 2, + "reactants": { + "C2H2": { }, + "OH": { } + }, + "products": { + "GLYOXAL": { "yield": 0.65 }, + "OH": { "yield": 0.65 }, + "HCOOH": { "yield": 0.35 }, + "HO2": { "yield": 0.35 }, + "CO": { "yield": 0.35 } + } + }, + { + "type": "ARRHENIUS", + "A": 2.0e-12, + "Ea": -6.90325e-21, + "reactants": { + "CH3O2": { }, + "TERPO2": { } + }, + "products": { + "TERPROD1": { }, + "CH2O": { "yield": 0.95 }, + "CH3OH": { "yield": 0.25 }, + "HO2": { }, + "CH3COCH3": { "yield": 0.025 } + } + }, + { + "type": "ARRHENIUS", + "A": 3.8e-12, + "Ea": -2.7613e-21, + "reactants": { + "C3H7OOH": { }, + "OH": { } + }, + "products": { + "H2O": { }, + "C3H7O2": { } + } + }, + { + "type": "PHOTOLYSIS", + "MUSICA name": "jterpnit", + "reactants": { + "TERPNIT": { } + }, + "products": { + "TERPROD1": { }, + "NO2": { }, + "HO2": { } + } + }, + { + "type": "ARRHENIUS", + "A": 1.45e-12, + "Ea": -3.03743e-21, + "reactants": { + "N": { }, + "NO2": { } + }, + "products": { + "N2": { }, + "O2": { } + } + }, + { + "type": "ARRHENIUS", + "A": 3.4e-11, + "Ea": 2.20904e-20, + "reactants": { + "O": { }, + "CH2O": { } + }, + "products": { + "HO2": { }, + "OH": { }, + "CO": { } + } + }, + { + "type": "ARRHENIUS", + "A": 7.5e-13, + "Ea": -9.66454e-21, + "reactants": { + "TOLUO2VBS": { }, + "HO2": { } + }, + "products": { + "HO2": { }, + "SOAG0": { "yield": 0.1364 }, + "SOAG1": { "yield": 0.0101 }, + "SOAG2": { "yield": 0.0763 }, + "SOAG3": { "yield": 0.2157 }, + "SOAG4": { "yield": 0.0738 } + } + }, + { + "type": "PHOTOLYSIS", + "MUSICA name": "jo2_b", + "reactants": { + "O2": { } + }, + "products": { + "O": { "yield": 2 } + } + }, + { + "type": "ARRHENIUS", + "A": 1.3e-12, + "Ea": 2.44375e-20, + "reactants": { + "OH": { }, + "HCFC142B": { } + }, + "products": { + "CL": { }, + "COF2": { } + } + }, + { + "type": "PHOTOLYSIS", + "MUSICA name": "jmgly", + "reactants": { + "CH3COCHO": { } + }, + "products": { + "CH3CO3": { }, + "CO": { }, + "HO2": { } + } + }, + { + "type": "ARRHENIUS", + "A": 1.17e-10, + "reactants": { + "CFC114": { }, + "O1D": { } + }, + "products": { + "CL": { "yield": 2 }, + "COF2": { "yield": 2 } + } + }, + { + "type": "PHOTOLYSIS", + "MUSICA name": "jxylenooh", + "reactants": { + "XYLENOOH": { } + }, + "products": { + "OH": { }, + "HO2": { }, + "GLYOXAL": { "yield": 0.34 }, + "CH3COCHO": { "yield": 0.54 }, + "BIGALD1": { "yield": 0.06 }, + "BIGALD2": { "yield": 0.2 }, + "BIGALD3": { "yield": 0.15 }, + "BIGALD4": { "yield": 0.21 } + } + }, + { + "type": "ARRHENIUS", + "A": 8.1e-12, + "Ea": -3.72775e-21, + "reactants": { + "NO": { }, + "CH3CO3": { } + }, + "products": { + "CH3O2": { }, + "CO2": { }, + "NO2": { } + } + }, + { + "type": "ARRHENIUS", + "A": 2.0e-12, + "reactants": { + "HONITR": { }, + "OH": { } + }, + "products": { + "ONITR": { }, + "HO2": { } + } + }, + { + "type": "ARRHENIUS", + "A": 2.12e-13, + "Ea": -1.79484e-20, + "reactants": { + "ISOPO2VBS": { }, + "HO2": { } + }, + "products": { + "HO2": { }, + "SOAG0": { "yield": 0.0031 }, + "SOAG1": { "yield": 0.0035 }, + "SOAG2": { "yield": 0.0003 }, + "SOAG3": { "yield": 0.0271 }, + "SOAG4": { "yield": 0.0474 } + } + }, + { + "type": "TROE", + "k0_A": 0.81103, + "k0_B": -4.1, + "k0_C": -14000, + "kinf_A": 1.05545e17, + "kinf_C": -14000, + "kinf_B": -1.6, + "reactants": { + "PAN": { } + }, + "products": { + "CH3CO3": { }, + "NO2": { } + } + }, + { + "type": "ARRHENIUS", + "A": 2.9e-12, + "Ea": -6.90325e-21, + "reactants": { + "CH3CO3": { "qty": 2 } + }, + "products": { + "CH3O2": { "yield": 2 }, + "CO2": { "yield": 2 } + } + }, + { + "type": "PHOTOLYSIS", + "MUSICA name": "jch4_b", + "reactants": { + "CH4": { } + }, + "products": { + "H2": { "yield": 1.44 }, + "CH2O": { "yield": 0.18 }, + "O": { "yield": 0.18 }, + "OH": { "yield": 0.33 }, + "H": { "yield": 0.33 }, + "CO2": { "yield": 0.44 }, + "CO": { "yield": 0.38 }, + "H2O": { "yield": 0.05 } + } + }, + { + "type": "ARRHENIUS", + "A": 1.63e-10, + "Ea": -8.28389e-22, + "reactants": { + "H2O": { }, + "O1D": { } + }, + "products": { + "OH": { "yield": 2 } + } + }, + { + "type": "ARRHENIUS", + "A": 6.0e-13, + "Ea": -3.17549e-21, + "reactants": { + "OH": { }, + "CLO": { } + }, + "products": { + "HCL": { }, + "O2": { } + } + }, + { + "type": "ARRHENIUS", + "A": 1.2e-11, + "Ea": -6.07486e-21, + "reactants": { + "OH": { }, + "MTERP": { } + }, + "products": { + "MTERP": { }, + "OH": { }, + "MTERPO2VBS": { } + } + }, + { + "type": "ARRHENIUS", + "A": 1.8e-10, + "reactants": { + "CH3BR": { }, + "O1D": { } + }, + "products": { + "BR": { } + } + }, + { + "type": "PHOTOLYSIS", + "MUSICA name": "jterp2ooh", + "reactants": { + "TERP2OOH": { } + }, + "products": { + "OH": { }, + "CH2O": { "yield": 0.375 }, + "CH3COCH3": { "yield": 0.3 }, + "CO": { "yield": 0.25 }, + "CO2": { }, + "TERPROD2": { }, + "HO2": { }, + 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"NO": { }, + "BENZO2": { } + }, + "products": { + "NO2": { }, + "GLYOXAL": { }, + "BIGALD1": { "yield": 0.5 }, + "HO2": { } + } + }, + { + "type": "ARRHENIUS", + "A": 2.6e-12, + "Ea": -5.03937e-21, + "reactants": { + "TOLO2": { }, + "NO": { } + }, + "products": { + "NO2": { }, + "GLYOXAL": { "yield": 0.6 }, + "CH3COCHO": { "yield": 0.4 }, + "HO2": { }, + "BIGALD1": { "yield": 0.2 }, + "BIGALD2": { "yield": 0.2 }, + "BIGALD3": { "yield": 0.2 } + } + }, + { + "type": "ARRHENIUS", + "A": 2.0e-10, + "reactants": { + "BCARY": { }, + "OH": { } + }, + "products": { + "BCARY": { }, + "OH": { }, + "BCARYO2VBS": { } + } + }, + { + "type": "PHOTOLYSIS", + "MUSICA name": "jbigald4", + "reactants": { + "BIGALD4": { } + }, + "products": { + "HO2": { }, + "CO": { }, + "CH3COCHO": { }, + "CH3CO3": { } + } + }, + { + "type": "ARRHENIUS", + "A": 3.75e-13, + "Ea": 5.5226e-22, + "reactants": { + "CH3O2": { }, + "C3H7O2": { } + }, + "products": { + "CH2O": { }, + "HO2": { }, + "CH3COCH3": { "yield": 0.82 } 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+ "HCOOH": { "yield": 0.33 }, + "HO2": { "yield": 0.14 } + } + }, + { + "type": "ARRHENIUS", + "A": 3.8e-12, + "Ea": -2.7613e-21, + "reactants": { + "OH": { }, + "ALKOOH": { } + }, + "products": { + "ALKO2": { } + } + }, + { + "type": "ARRHENIUS", + "A": 4.63e-12, + "Ea": -4.83227e-21, + "reactants": { + "OH": { }, + "CH3CHO": { } + }, + "products": { + "CH3CO3": { }, + "H2O": { } + } + }, + { + "type": "ARRHENIUS", + "A": 2.75e-13, + "Ea": -1.79484e-20, + "reactants": { + "BCARYO2VBS": { }, + "HO2": { } + }, + "products": { + "HO2": { }, + "SOAG0": { "yield": 0.2202 }, + "SOAG1": { "yield": 0.2067 }, + "SOAG2": { "yield": 0.0653 }, + "SOAG3": { "yield": 0.1284 }, + "SOAG4": { "yield": 0.114 } + } + }, + { + "type": "ARRHENIUS", + "A": 1.2e-12, + "Ea": -6.76518e-21, + "reactants": { + "NO3": { }, + "MTERP": { } + }, + "products": { + "NTERPO2": { } + } + }, + { + "type": "ARRHENIUS", + "A": 3.3e-12, + "Ea": 4.34904e-20, + "reactants": { + "N": { }, + "O2": { } + }, + "products": { + 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newline at end of file diff --git a/src/acom_music_box/examples/configs/ts1/camp_data/species.json b/src/acom_music_box/examples/configs/ts1/camp_data/species.json new file mode 100644 index 00000000..98dd44b4 --- /dev/null +++ b/src/acom_music_box/examples/configs/ts1/camp_data/species.json @@ -0,0 +1,1281 @@ +{ + "camp-data": [ + { + "type": "RELATIVE_TOLERANCE", + "value": 1.0e-4 + }, + { + "name": "ALKNIT", + "type": "CHEM_SPEC", + "__description": "standard alkyl nitrate from BIGALK+OH chemistry", + "molecular weight [kg mol-1]": 0.133141 + }, + { + "name": "BZOOH", + "type": "CHEM_SPEC", + "__description": "hydroperoxide from toluene oxidation", + "molecular weight [kg mol-1]": 0.124135 + }, + { + "name": "C6H5OOH", + "type": "CHEM_SPEC", + "__description": "phenyl hydroperoxide", + "molecular weight [kg mol-1]": 0.110109 + }, + { + "name": "COF2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "O2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "COFCL", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "HF", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "F", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "BENZO2", + "type": "CHEM_SPEC", + "__description": "bicyclic peroxy radical from OH + benzene", + "molecular weight [kg mol-1]": 0.159115 + }, + { + "name": "BZOO", + "type": "CHEM_SPEC", + "__description": "peroxy radical from toluene oxidation", + "molecular weight [kg mol-1]": 0.123128 + }, + { + "name": "N2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "E90", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "NH_5", + "type": "CHEM_SPEC", + "__description": "idealized tracer with 5 day loss rate", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "NH_50", + "type": "CHEM_SPEC", + "__description": "idealized tracer with 50-day loss rate", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "ST80_25", + "type": "CHEM_SPEC", + "__description": "Stratospheric loss tracer", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "PAN", + "type": "CHEM_SPEC", + "__description": "peroxy acetyl nitrate", + "molecular weight [kg mol-1]": 0.121048 + }, + { + "name": "MVK", + "type": "CHEM_SPEC", + "__description": "methyl vinyl ketone", + "molecular weight [kg mol-1]": 0.0700878 + }, + { + "name": "MACROOH", + "type": "CHEM_SPEC", + "__description": "peroxide from methacrolein", + "molecular weight [kg mol-1]": 0.120101 + }, + { + "name": "SOAG0", + "type": "CHEM_SPEC", + "__description": "SOA gas-phase precursor VBS bin 0", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "SOAG1", + "type": "CHEM_SPEC", + "__description": "SOA gas-phase precursor VBS bin 1", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "SOAG2", + "type": "CHEM_SPEC", + "__description": "SOA gas-phase precursor VBS bin 2", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "SOAG3", + "type": "CHEM_SPEC", + "__description": "SOA gas-phase precursor VBS bin 3", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "SOAG4", + "type": "CHEM_SPEC", + "__description": "SOA gas-phase precursor VBS bin 4", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "soa4_a1", + "type": "CHEM_SPEC", + "__description": "SOA bin 4, MAM accumulation mode", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "soa5_a1", + "type": "CHEM_SPEC", + "__description": "SOA bin 5, MAM accumulation mode", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "soa5_a2", + "type": "CHEM_SPEC", + "__description": "SOA bin 5, MAM Aitken mode", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "soa3_a1", + "type": "CHEM_SPEC", + "__description": "SOA bin 3, MAM accumulation mode", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "soa2_a1", + "type": "CHEM_SPEC", + "__description": "SOA bin 2, MAM accumulation mode", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "soa1_a1", + "type": "CHEM_SPEC", + "__description": "SOA bin 1, MAM accumulation mode", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "soa1_a2", + "type": "CHEM_SPEC", + "__description": "SOA bin 1, MAM Aitken mode", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "soa2_a2", + "type": "CHEM_SPEC", + "__description": "SOA bin 2, MAM Aitken mode", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "soa3_a2", + "type": "CHEM_SPEC", + "__description": "SOA bin 3, MAM Aitken mode", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "soa4_a2", + "type": "CHEM_SPEC", + "__description": "SOA bin 4, MAM Aitken mode", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "ISOPNITB", + "type": "CHEM_SPEC", + "__description": "1,4-hydroxynitrate from OH+isoprene chemistry", + "molecular weight [kg mol-1]": 0.147126, + "diffusion coefficient [m2 s-1]": 1000.0 + }, + { + "name": "SO3", + "type": "CHEM_SPEC", + "__description": "sulfur trioxide", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "OCS", + "type": "CHEM_SPEC", + "__description": "carbonyl sulfide", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "SO", + "type": "CHEM_SPEC", + "__description": "sulfur monoxide", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "S", + "type": "CHEM_SPEC", + "__description": "atomic sulfur", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "BCARYO2VBS", + "type": "CHEM_SPEC", + "__description": "BCARY oxidation proxy for NOx-dependent VBS-SOA", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "SF6", + "type": "CHEM_SPEC", + "__description": "sulfur hexafluoride", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "sink", + "type": "CHEM_SPEC", + "__description": "sink for sulfur hexaflouride", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "H", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0010074 + }, + { + "name": "MEK", + "type": "CHEM_SPEC", + "__description": "methyl ethyl ketone", + "molecular weight [kg mol-1]": 0.0721026 + }, + { + "name": "MTERP", + "type": "CHEM_SPEC", + "__description": "lumped monoterpenes", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "N2O5", + "type": "CHEM_SPEC", + "__description": "dinitrogen pentoxide", + "molecular weight [kg mol-1]": 0.10801, + "diffusion coefficient [m2 s-1]": 1000.0 + }, + { + "name": "HCN", + "type": "CHEM_SPEC", + "__description": "hydrogen cyanide", + "molecular weight [kg mol-1]": 0.0270251 + }, + { + "name": "SVOC", + "type": "CHEM_SPEC", + "__description": "semi-volatile organic precursor of VBS SOA", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "ISOPNO3", + "type": "CHEM_SPEC", + "__description": "peroxy radical from isoprene NO3 oxidation", + "molecular weight [kg mol-1]": 0.162118 + }, + { + "name": "RO2", + "type": "CHEM_SPEC", + "__description": "peroxy radical from acetone", + "molecular weight [kg mol-1]": 0.0890682 + }, + { + "name": "PHENO2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.175114 + }, + { + "name": "BENZO2VBS", + "type": "CHEM_SPEC", + "__description": "benzene oxidation proxy for NOx-dependent VBS-SOA", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "IVOC", + "type": "CHEM_SPEC", + "__description": "intermediate volatility organic precursor of VBS SOA", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "TERPNIT", + "type": "CHEM_SPEC", + "__description": "mostly hydroxynitrates from OH+terpene chemistry", + "molecular weight [kg mol-1]": 0.21524, + "diffusion coefficient [m2 s-1]": 1000.0 + }, + { + "name": "ISOPO2VBS", + "type": "CHEM_SPEC", + "__description": "isoprene oxidation proxy for NOx-dependent VBS-SOA", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "IVOCO2VBS", + "type": "CHEM_SPEC", + "__description": "IVOC oxidation proxy for NOx-dependent VBS-SOA", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "HNO3", + "type": "CHEM_SPEC", + "__description": "nitric acid", + "molecular weight [kg mol-1]": 0.0630123 + }, + { + "name": "ACBZO2", + "type": "CHEM_SPEC", + "__description": "acylperoxy radical from benzaldehyde", + "molecular weight [kg mol-1]": 0.137112 + }, + { + "name": "CH3COOOH", + "type": "CHEM_SPEC", + "__description": "peracetic acid", + "molecular weight [kg mol-1]": 0.0760498 + }, + { + "name": "SO2", + "type": "CHEM_SPEC", + "__description": "sulfur dioxide", + "molecular weight [kg mol-1]": 0.0640648 + }, + { + "name": "MTERPO2VBS", + "type": "CHEM_SPEC", + "__description": "MTERP oxidation proxy for NOx-dependent VBS-SOA", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "CH4", + "type": "CHEM_SPEC", + "__description": "methane", + "molecular weight [kg mol-1]": 0.0160406 + }, + { + "name": "CH3CL", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0504859 + }, + { + "name": "CH3CO3", + "type": "CHEM_SPEC", + "__description": "acetylperoxy radical", + "molecular weight [kg mol-1]": 0.0750424 + }, + { + "name": "C6H5O2", + "type": "CHEM_SPEC", + "__description": "phenylperoxy radical", + "molecular weight [kg mol-1]": 0.109102 + }, + { + "name": "TERPROD1", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.168227 + }, + { + "name": "HYAC", + "type": "CHEM_SPEC", + "__description": "hydroxyacetone", + "molecular weight [kg mol-1]": 0.0740762 + }, + { + "name": "HPALD", + "type": "CHEM_SPEC", + "__description": "hydroperoxyaldehyde", + "molecular weight [kg mol-1]": 0.116112 + }, + { + "name": "TOLUO2VBS", + "type": "CHEM_SPEC", + "__description": "toluene oxidation proxy for NOx-dependent VBS-SOA", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "H2O", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0180142 + }, + { + "name": "NO2", + "type": "CHEM_SPEC", + "__description": "nitrogen dioxide", + "molecular weight [kg mol-1]": 0.0460055, + "diffusion coefficient [m2 s-1]": 1000.0 + }, + { + "name": "EOOH", + "type": "CHEM_SPEC", + "__description": "hydroxyhydroperoxide from OH + ethene chemistry", + "molecular weight [kg mol-1]": 0.0780646 + }, + { + "name": "NTERPOOH", + "type": "CHEM_SPEC", + "__description": "nitrooxy-hydroperoxide from NO3+terpene chemistry", + "molecular weight [kg mol-1]": 0.23124, + "diffusion coefficient [m2 s-1]": 1000.0 + }, + { + "name": "XYLEO2VBS", + "type": "CHEM_SPEC", + "__description": "xylenes oxidation proxy for NOx-dependent VBS-SOA", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "CCL4", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.153822 + }, + { + "name": "CF2CLBR", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.165365 + }, + { + "name": "CF3BR", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.14891 + }, + { + "name": "CFC11", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.137368 + }, + { + "name": "CFC113", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.187375 + }, + { + "name": "CFC114", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.170921 + }, + { + "name": "CFC115", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.154467 + }, + { + "name": "CFC12", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.120913 + }, + { + "name": "CH2BR2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.173834 + }, + { + "name": "CH3BR", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0949372 + }, + { + "name": "CH3CCL3", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.133402 + }, + { + "name": "NO", + "type": "CHEM_SPEC", + "__description": "nitric oxide", + "molecular weight [kg mol-1]": 0.0300061 + }, + { + "name": "BR", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.079904 + }, + { + "name": "BRCL", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.115357 + }, + { + "name": "BRO", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0959034 + }, + { + "name": "BRONO2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.141909 + }, + { + "name": "CL", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0354527 + }, + { + "name": "CL2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0709054 + }, + { + "name": "CL2O2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.102904 + }, + { + "name": "CLO", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0514521 + }, + { + "name": "CLONO2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0974576 + }, + { + "name": "HCOOH", + "type": "CHEM_SPEC", + "__description": "formic acid", + "molecular weight [kg mol-1]": 0.0460246 + }, + { + "name": "HBR", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0809114 + }, + { + "name": "HOBR", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0969108 + }, + { + "name": "HOCL", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0524595 + }, + { + "name": "N", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0140067 + }, + { + "name": "BIGENE", + "type": "CHEM_SPEC", + "__description": "lumped alkenes C>3", + "molecular weight [kg mol-1]": 0.0561032 + }, + { + "name": "C2H4", + "type": "CHEM_SPEC", + "__description": "ethene", + "molecular weight [kg mol-1]": 0.0280516 + }, + { + "name": "C2H5O2", + "type": "CHEM_SPEC", + "__description": "ethylperoxy radical", + "molecular weight [kg mol-1]": 0.0610578 + }, + { + "name": "CH3COCHO", + "type": "CHEM_SPEC", + "__description": "methyl glyoxal", + "molecular weight [kg mol-1]": 0.0720614 + }, + { + "name": "CH3COCH3", + "type": "CHEM_SPEC", + "__description": "acetone", + "molecular weight [kg mol-1]": 0.0580768 + }, + { + "name": "O", + "type": "CHEM_SPEC", + "__description": "ground state atomic oxygen", + "molecular weight [kg mol-1]": 0.0159994 + }, + { + "name": "OCLO", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0674515 + }, + { + "name": "O1D", + "type": "CHEM_SPEC", + "__description": "excited state atomic oxygen", + "molecular weight [kg mol-1]": 0.0159994 + }, + { + "name": "PHENO", + "type": "CHEM_SPEC", + "__description": "phenoxy radical", + "molecular weight [kg mol-1]": 0.159115 + }, + { + "name": "HCFC141B", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.116948 + }, + { + "name": "HCFC142B", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.100494 + }, + { + "name": "HCFC22", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0864679 + }, + { + "name": "DMS", + "type": "CHEM_SPEC", + "__description": "dimethyl sulfide", + "molecular weight [kg mol-1]": 0.0621324 + }, + { + "name": "C2H5OH", + "type": "CHEM_SPEC", + "__description": "ethanol", + "molecular weight [kg mol-1]": 0.0460658 + }, + { + "name": "HCL", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0364601 + }, + { + "name": "BEPOMUC", + "type": "CHEM_SPEC", + "__description": "unsaturated dialdehydic epoxide from OH + benzene", + "molecular weight [kg mol-1]": 0.126109 + }, + { + "name": "CHBR3", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.25273 + }, + { + "name": "H2402", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.259824 + }, + { + "name": "CO2", + "type": "CHEM_SPEC", + "__description": "carbon dioxide", + "molecular weight [kg mol-1]": 0.0440098 + }, + { + "name": "BZALD", + "type": "CHEM_SPEC", + "__description": "benzaldehyde", + "molecular weight [kg mol-1]": 0.106121 + }, + { + "name": "BENZENE", + "type": "CHEM_SPEC", + "__description": "benzene", + "molecular weight [kg mol-1]": 0.0781104 + }, + { + "name": "C3H7O2", + "type": "CHEM_SPEC", + "__description": "propylperoxy radical", + "molecular weight [kg mol-1]": 0.0750836 + }, + { + "name": "CH3O2", + "type": "CHEM_SPEC", + "__description": "methylperoxy radical", + "molecular weight [kg mol-1]": 0.047032 + }, + { + "name": "BCARY", + "type": "CHEM_SPEC", + "__description": "beta-caryophyllene", + "molecular weight [kg mol-1]": 0.204343 + }, + { + "name": "BIGALD", + "type": "CHEM_SPEC", + "__description": "lumped aldehyde from terpene ozonolysis", + "molecular weight [kg mol-1]": 0.0980982 + }, + { + "name": "BIGALD2", + "type": "CHEM_SPEC", + "__description": "4-oxy-2-pentenal, a product of aromatic oxidation", + "molecular weight [kg mol-1]": 0.0980982 + }, + { + "name": "BIGALD3", + "type": "CHEM_SPEC", + "__description": "2-methyl butenedial, a product of aromatic oxidation", + "molecular weight [kg mol-1]": 0.0980982 + }, + { + "name": "BIGALD4", + "type": "CHEM_SPEC", + "__description": "2-methyl-4-oxo-2-pentenal, a product of aromatic oxidation", + "molecular weight [kg mol-1]": 0.112124 + }, + { + "name": "BIGALK", + "type": "CHEM_SPEC", + "__description": "lumped alkanes C>3", + "molecular weight [kg mol-1]": 0.0721438 + }, + { + "name": "H2O2", + "type": "CHEM_SPEC", + "__description": "hydrogen peroxide", + "molecular weight [kg mol-1]": 0.0340136 + }, + { + "name": "C2H5OOH", + "type": "CHEM_SPEC", + "__description": "ethyl hydroperoxide", + "molecular weight [kg mol-1]": 0.0620652 + }, + { + "name": "C2H6", + "type": "CHEM_SPEC", + "__description": "ethane", + "molecular weight [kg mol-1]": 0.0300664 + }, + { + "name": "C3H8", + "type": "CHEM_SPEC", + "__description": "propane", + "molecular weight [kg mol-1]": 0.0440922 + }, + { + "name": "C3H6", + "type": "CHEM_SPEC", + "__description": "propene", + "molecular weight [kg mol-1]": 0.0420774 + }, + { + "name": "CH2O", + "type": "CHEM_SPEC", + "__description": "formaldehyde", + "molecular weight [kg mol-1]": 0.0300252 + }, + { + "name": "CH3CN", + "type": "CHEM_SPEC", + "__description": "acetonitrile", + "molecular weight [kg mol-1]": 0.0410509 + }, + { + "name": "C2H2", + "type": "CHEM_SPEC", + "__description": "ethyne", + "molecular weight [kg mol-1]": 0.0260368 + }, + { + "name": "CH3OH", + "type": "CHEM_SPEC", + "__description": "methanol", + "molecular weight [kg mol-1]": 0.03204 + }, + { + "name": "CH3OOH", + "type": "CHEM_SPEC", + "__description": "methyl hydroperoxide", + "molecular weight [kg mol-1]": 0.0480394 + }, + { + "name": "CRESOL", + "type": "CHEM_SPEC", + "__description": "lumped cresols (hydroxymethylbenzenes)", + "molecular weight [kg mol-1]": 0.108136 + }, + { + "name": "ENEO2", + "type": "CHEM_SPEC", + "__description": "lumped hydroxyperoxy radical from OH + large alkenes", + "molecular weight [kg mol-1]": 0.105109 + }, + { + "name": "MACRO2", + "type": "CHEM_SPEC", + "__description": "peroxy radical from methacrolein oxidation", + "molecular weight [kg mol-1]": 0.119093 + }, + { + "name": "ISOPAO2", + "type": "CHEM_SPEC", + "__description": "1,2-isomer of isoprene peroxy radical", + "molecular weight [kg mol-1]": 0.11712 + }, + { + "name": "MALO2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.115064 + }, + { + "name": "ISOPBO2", + "type": "CHEM_SPEC", + "__description": "1,4-isomer of isoprene peroxy radical", + "molecular weight [kg mol-1]": 0.11712 + }, + { + "name": "MCO3", + "type": "CHEM_SPEC", + "__description": "peroxy radical from OH abstraction reaction with MACR", + "molecular weight [kg mol-1]": 0.101079 + }, + { + "name": "MDIALO2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.117079 + }, + { + "name": "MEKO2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.103094 + }, + { + "name": "EO2", + "type": "CHEM_SPEC", + "__description": "hydroxyperoxy radical from OH + ethene chemistry", + "molecular weight [kg mol-1]": 0.0770572 + }, + { + "name": "EO", + "type": "CHEM_SPEC", + "__description": "hydroxyalkoxy radical from OH + ethene chemistry", + "molecular weight [kg mol-1]": 0.0610578 + }, + { + "name": "GLYOXAL", + "type": "CHEM_SPEC", + "__description": "glyoxal", + "molecular weight [kg mol-1]": 0.0580356, + "diffusion coefficient [m2 s-1]": 1e300 + }, + { + "name": "MPAN", + "type": "CHEM_SPEC", + "__description": "methacrylol peroxynitrate", + "molecular weight [kg mol-1]": 0.147085 + }, + { + "name": "NC4CH2OH", + "type": "CHEM_SPEC", + "__description": "nitrooxy-alcohol from NO3+isoprene chemistry", + "molecular weight [kg mol-1]": 0.147126, + "diffusion coefficient [m2 s-1]": 1000.0 + }, + { + "name": "ISOPOOH", + "type": "CHEM_SPEC", + "__description": "unsaturated hydroxyhydroperoxide", + "molecular weight [kg mol-1]": 0.118127 + }, + { + "name": "GLYALD", + "type": "CHEM_SPEC", + "__description": "glycolaldehyde", + "molecular weight [kg mol-1]": 0.0600504 + }, + { + "name": "HO2", + "type": "CHEM_SPEC", + "__description": "hydroperoxyl radical", + "molecular weight [kg mol-1]": 0.0330062, + "diffusion coefficient [m2 s-1]": 1000.0 + }, + { + "name": "HOCH2OO", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0630314 + }, + { + "name": "H2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0020148 + }, + { + "name": "HYDRALD", + "type": "CHEM_SPEC", + "__description": "lumped unsturated hydroxycarbonyl", + "molecular weight [kg mol-1]": 0.100113 + }, + { + "name": "ISOP", + "type": "CHEM_SPEC", + "__description": "isoprene", + "molecular weight [kg mol-1]": 0.0681142 + }, + { + "name": "NTERPO2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.230232 + }, + { + "name": "TOLO2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.173141 + }, + { + "name": "TERP2O2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.199219 + }, + { + "name": "XYLENO2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.187166 + }, + { + "name": "TERPO2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.185234 + }, + { + "name": "XYLOLO2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.203166 + }, + { + "name": "PBZNIT", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.183118 + }, + { + "name": "XYLENES", + "type": "CHEM_SPEC", + "__description": "lumped xylenes", + "molecular weight [kg mol-1]": 0.106162 + }, + { + "name": "PO2", + "type": "CHEM_SPEC", + "__description": "propene peroxy radical", + "molecular weight [kg mol-1]": 0.091083 + }, + { + "name": "TOLUENE", + "type": "CHEM_SPEC", + "__description": "toluene", + "molecular weight [kg mol-1]": 0.0921362 + }, + { + "name": "XO2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.149119 + }, + { + "name": "XOOH", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.150126 + }, + { + "name": "TERPROD2", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.154201 + }, + { + "name": "MEKOOH", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.104101 + }, + { + "name": "MACR", + "type": "CHEM_SPEC", + "__description": "methacrolein", + "molecular weight [kg mol-1]": 0.0700878 + }, + { + "name": "HONITR", + "type": "CHEM_SPEC", + "__description": "lumped hydroxynitrates from various compounds (formula updated 2017-04-06)", + "molecular weight [kg mol-1]": 0.1331, + "diffusion coefficient [m2 s-1]": 1000.0 + }, + { + "name": "ISOPNITA", + "type": "CHEM_SPEC", + "__description": "1,2-hydroxynitrate from OH+isoprene chemistry", + "molecular weight [kg mol-1]": 0.147126, + "diffusion coefficient [m2 s-1]": 1000.0 + }, + { + "name": "ISOPNOOH", + "type": "CHEM_SPEC", + "__description": "nitroxy-hydroperoxide from NO3+isoprene chemistry", + "molecular weight [kg mol-1]": 0.163125 + }, + { + "name": "IEPOX", + "type": "CHEM_SPEC", + "__description": "isoprene epoxide", + "molecular weight [kg mol-1]": 0.118127 + }, + { + "name": "ONITR", + "type": "CHEM_SPEC", + "__description": "lumped hydroxynitrates (formula updated 2017-04-06)", + "molecular weight [kg mol-1]": 0.147126, + "diffusion coefficient [m2 s-1]": 1000.0 + }, + { + "name": "H2SO4", + "type": "CHEM_SPEC", + "__description": "sulfuric acid", + "molecular weight [kg mol-1]": 0.0980784 + }, + { + "name": "N2O", + "type": "CHEM_SPEC", + "__description": "nitrous oxide", + "molecular weight [kg mol-1]": 0.0440129 + }, + { + "name": "NO3", + "type": "CHEM_SPEC", + "__description": "nitrate radical", + "molecular weight [kg mol-1]": 0.0620049, + "diffusion coefficient [m2 s-1]": 1000.0 + }, + { + "name": "OH", + "type": "CHEM_SPEC", + "__description": "hydroxyl radical", + "molecular weight [kg mol-1]": 0.0170068 + }, + { + "name": "PHENOOH", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.176122 + }, + { + "name": "PHENOL", + "type": "CHEM_SPEC", + "__description": "phenol, product of benzene chemistry", + "molecular weight [kg mol-1]": 0.0941098 + }, + { + "name": "XYLOL", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.122161 + }, + { + "name": "ROOH", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0900756 + }, + { + "name": "O3", + "type": "CHEM_SPEC", + "__description": "ozone", + "molecular weight [kg mol-1]": 0.0479982 + }, + { + "name": "TERPOOH", + "type": "CHEM_SPEC", + "__description": "Hydroxy hydroperoxide from terpene 0 double bonds", + "molecular weight [kg mol-1]": 0.186241 + }, + { + "name": "TOLOOH", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.174148 + }, + { + "name": "XYLENOOH", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.188174 + }, + { + "name": "XYLOLOOH", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.204173 + }, + { + "name": "CO", + "type": "CHEM_SPEC", + "__description": "carbon monoxide", + "molecular weight [kg mol-1]": 0.0280104 + }, + { + "name": "CH3COOH", + "type": "CHEM_SPEC", + "__description": "acetic acid", + "molecular weight [kg mol-1]": 0.0600504 + }, + { + "name": "CH3CHO", + "type": "CHEM_SPEC", + "__description": "acetaldehyde", + "molecular weight [kg mol-1]": 0.044051 + }, + { + "name": "BIGALD1", + "type": "CHEM_SPEC", + "__description": "butenedial, a product of aromatic oxidation", + "molecular weight [kg mol-1]": 0.0840724 + }, + { + "name": "ALKOOH", + "type": "CHEM_SPEC", + "__description": "lumped alkane peroxide", + "molecular weight [kg mol-1]": 0.104143 + }, + { + "name": "DICARBO2", + "type": "CHEM_SPEC", + "__description": "acylperoxy radical formed from aromatic oxidation, via unsaturated dicarbonyl chemistry", + "molecular weight [kg mol-1]": 0.12909 + }, + { + "name": "BENZOOH", + "type": "CHEM_SPEC", + "__description": "bicyclic hydroperoxide from OH + benzene", + "molecular weight [kg mol-1]": 0.160122 + }, + { + "name": "ALKO2", + "type": "CHEM_SPEC", + "__description": "lumped alkane peroxy radical from BIGALK", + "molecular weight [kg mol-1]": 0.103135 + }, + { + "name": "HO2NO2", + "type": "CHEM_SPEC", + "__description": "pernitric acid", + "molecular weight [kg mol-1]": 0.0790117 + }, + { + "name": "C3H7OOH", + "type": "CHEM_SPEC", + "__description": "propyl hydrogen peroxide", + "molecular weight [kg mol-1]": 0.076091 + }, + { + "name": "NH3", + "type": "CHEM_SPEC", + "__description": "ammonia", + "molecular weight [kg mol-1]": 0.017031 + }, + { + "name": "TERP2OOH", + "type": "CHEM_SPEC", + "__description": "2nd generation terpene hydroperoxide", + "molecular weight [kg mol-1]": 0.200226 + }, + { + "name": "POOH", + "type": "CHEM_SPEC", + "__description": "", + "molecular weight [kg mol-1]": 0.0920904 + }, + { + "name": "NOA", + "type": "CHEM_SPEC", + "__description": "nitrooxyacetone, largely from NO3+propene chemistry", + "molecular weight [kg mol-1]": 0.119074 + }, + { + "name": "NC4CHO", + "type": "CHEM_SPEC", + "__description": "nitrooxy-aldehyde from NO3+isoprene chemistry", + "molecular weight [kg mol-1]": 0.145111, + "diffusion coefficient [m2 s-1]": 1000.0 + }, + { + "name": "TEPOMUC", + "type": "CHEM_SPEC", + "__description": "toluene, xylenes product", + "molecular weight [kg mol-1]": 0.140134 + }, + { + "name": "NH4", + "type": "CHEM_SPEC", + "__description": "Ammonium", + "molecular weight [kg mol-1]": 0 + }, + { + "name": "M", + "type": "CHEM_SPEC", + "tracer type": "THIRD_BODY" + } + + ] +} diff --git a/src/acom_music_box/examples/configs/ts1/my_config.json b/src/acom_music_box/examples/configs/ts1/my_config.json new file mode 100644 index 00000000..79e0713e --- /dev/null +++ b/src/acom_music_box/examples/configs/ts1/my_config.json @@ -0,0 +1,584 @@ +{ + "box model options": { + "grid": "box", + "chemistry time step [sec]": 60.0, + "output time step [sec]": 600.0, + "simulation length [hour]": 1.0 + }, + "chemical species": { + "TEPOMUC": { + "initial value [mol m-3]": 2.21e-10 + }, + "NC4CHO": { + "initial value [mol m-3]": 3.67e-11 + }, + "NOA": { + "initial value [mol m-3]": 5.46e-09 + }, + "POOH": { + "initial value [mol m-3]": 9.24e-10 + }, + "TERP2OOH": { + "initial value [mol m-3]": 5.96e-10 + }, + "NH3": { + "initial value [mol m-3]": 7.59e-08 + }, + "C3H7OOH": { + "initial value [mol m-3]": 7.87e-11 + }, + "HO2NO2": { + "initial value [mol m-3]": 7.99e-10 + }, + "ALKO2": { + "initial value [mol m-3]": 1.39e-11 + }, + "BENZOOH": { + "initial value [mol m-3]": 5.78e-12 + }, + "DICARBO2": { + "initial value [mol m-3]": 1.55e-13 + }, + "ALKOOH": { + "initial value [mol m-3]": 3.79e-10 + }, + "BIGALD1": { + "initial value [mol m-3]": 6.47e-11 + }, + "CH3CHO": { + "initial value [mol m-3]": 2.51e-08 + }, + "CH3COOH": { + "initial value [mol m-3]": 8.2e-09 + }, + "CO": { + "initial value [mol m-3]": 3.25e-06 + }, + "XYLOLOOH": { + "initial value [mol m-3]": 1.31e-11 + }, + "XYLENOOH": { + "initial value [mol m-3]": 1.5e-10 + }, + "TOLOOH": { + "initial value [mol m-3]": 9.69e-11 + }, + "TERPOOH": { + "initial value [mol m-3]": 2.46e-10 + }, + "O3": { + "initial value [mol m-3]": 2.49e-06 + }, + "ROOH": { + "initial value [mol m-3]": 4.4e-10 + }, + "XYLOL": { + "initial value [mol m-3]": 9.92e-11 + }, + "PHENOL": { + "initial value [mol m-3]": 9.49e-11 + }, + "PHENOOH": { + "initial value [mol m-3]": 9.15e-12 + }, + "OH": { + "initial value [mol m-3]": 2.52e-11 + }, + "NO3": { + "initial value [mol m-3]": 9.32e-12 + }, + "N2O": { + "initial value [mol m-3]": 1.27e-05 + }, + "H2SO4": { + "initial value [mol m-3]": 2.27e-11 + }, + "ONITR": { + "initial value [mol m-3]": 2.67e-09 + }, + "IEPOX": { + "initial value [mol m-3]": 5.84e-09 + }, + "ISOPNOOH": { + "initial value [mol m-3]": 9.16e-11 + }, + "ISOPNITA": { + "initial value [mol m-3]": 1.62e-09 + }, + "HONITR": { + "initial value [mol m-3]": 6.79e-09 + }, + "MACR": { + "initial value [mol m-3]": 1.06e-08 + }, + "MEKOOH": { + "initial value [mol m-3]": 6.15e-11 + }, + "TERPROD2": { + "initial value [mol m-3]": 3.81e-09 + }, + "XOOH": { + "initial value [mol m-3]": 7.93e-09 + }, + "XO2": { + "initial value [mol m-3]": 1.12e-10 + }, + "TOLUENE": { + "initial value [mol m-3]": 4.88e-09 + }, + "PO2": { + "initial value [mol m-3]": 1.46e-11 + }, + "XYLENES": { + "initial value [mol 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8.17e-10 + }, + "C2H5OH": { + "initial value [mol m-3]": 2.75e-08 + }, + "DMS": { + "initial value [mol m-3]": 1.74e-10 + }, + "HCFC22": { + "initial value [mol m-3]": 9.07e-09 + }, + "HCFC142B": { + "initial value [mol m-3]": 8.24e-10 + }, + "HCFC141B": { + "initial value [mol m-3]": 9.29e-10 + }, + "PHENO": { + "initial value [mol m-3]": 1e-12 + }, + "O1D": { + "initial value [mol m-3]": 1.53e-19 + }, + "OCLO": { + "initial value [mol m-3]": 7.68e-19 + }, + "O": { + "initial value [mol m-3]": 2.85e-14 + }, + "CH3COCH3": { + "initial value [mol m-3]": 7.37e-08 + }, + "CH3COCHO": { + "initial value [mol m-3]": 1.95e-08 + }, + "C2H5O2": { + "initial value [mol m-3]": 1.55e-12 + }, + "C2H4": { + "initial value [mol m-3]": 2.51e-08 + }, + "BIGENE": { + "initial value [mol m-3]": 6.59e-10 + }, + "HOCL": { + "initial value [mol m-3]": 2.11e-12 + }, + "HOBR": { + "initial value [mol m-3]": 1.65e-12 + }, + "HBR": { + "initial value [mol m-3]": 4.48e-11 + }, + "HCOOH": { + "initial value [mol m-3]": 8.79e-09 + }, + "CLONO2": { + "initial value [mol m-3]": 4.09e-11 + }, + "CLO": { + "initial value [mol m-3]": 8.06e-14 + }, + "CL2O2": { + "initial value [mol m-3]": 1.8899999999999997e-23 + }, + "CL2": { + "initial value [mol m-3]": 1.01e-16 + }, + "CL": { + "initial value [mol m-3]": 1.07e-15 + }, + "BRONO2": { + "initial value [mol m-3]": 1.22e-11 + }, + "BRO": { + "initial value [mol m-3]": 1.95e-13 + }, + "BRCL": { + "initial value [mol m-3]": 9.18e-19 + }, + "BR": { + "initial value [mol m-3]": 3.67e-14 + }, + "NO": { + "initial value [mol m-3]": 1.47e-08 + }, + "CH3CCL3": { + "initial value [mol m-3]": 5.55e-11 + }, + "CH3BR": { + "initial value [mol m-3]": 2.37e-10 + }, + "CH2BR2": { + "initial value [mol m-3]": 4.32e-11 + }, + "CFC12": { + "initial value [mol m-3]": 1.92e-08 + }, + "CFC115": { + "initial value [mol m-3]": 3.29e-10 + }, + "CFC114": { + "initial value [mol m-3]": 6.19e-10 + }, + "CFC113": { + "initial value [mol m-3]": 2.66e-09 + }, + "CFC11": { + "initial value [mol m-3]": 8.5e-09 + }, + "CF3BR": { + "initial value [mol m-3]": 1.26e-10 + }, + "CF2CLBR": { + "initial value [mol m-3]": 1.24e-10 + }, + "CCL4": { + "initial value [mol m-3]": 2.96e-09 + }, + "NTERPOOH": { + "initial value [mol m-3]": 9.37e-11 + }, + "EOOH": { + "initial value [mol m-3]": 3.56e-09 + }, + "NO2": { + "initial value [mol m-3]": 6.37e-08 + }, + "HPALD": { + "initial value [mol m-3]": 3.56e-10 + }, + "HYAC": { + "initial value [mol m-3]": 4.88e-08 + }, + "TERPROD1": { + "initial value [mol m-3]": 1.68e-09 + }, + "C6H5O2": { + "initial value [mol m-3]": 6.23e-12 + }, + "CH3CO3": { + "initial value [mol m-3]": 8.32e-11 + }, + "CH3CL": { + "initial value [mol m-3]": 2.07e-08 + }, + "CH4": { + "initial value [mol m-3]": 7.03e-05 + }, + "SO2": { + "initial value [mol m-3]": 6.15e-08 + }, + "CH3COOOH": { + "initial value [mol m-3]": 7.19e-09 + }, + "ACBZO2": { + "initial value [mol m-3]": 3.54e-13 + }, + "HNO3": { + "initial value [mol m-3]": 1.04e-07 + }, + "TERPNIT": { + "initial value [mol m-3]": 8.28e-10 + }, + "IVOC": { + "initial value [mol m-3]": 2.06e-09 + }, + "PHENO2": { + "initial value [mol m-3]": 2.54e-13 + }, + "RO2": { + "initial value [mol m-3]": 7.13e-12 + }, + "ISOPNO3": { + "initial value [mol m-3]": 5.35e-13 + }, + "SVOC": { + "initial value [mol m-3]": 1.98e-10 + }, + "HCN": { + "initial value [mol m-3]": 1.9e-08 + }, + "N2O5": { + "initial value [mol m-3]": 1e-11 + }, + "MTERP": { + "initial value [mol m-3]": 1.09e-09 + }, + "MEK": { + "initial value [mol m-3]": 1.04e-08 + }, + "H": { + "initial value [mol m-3]": 9.67e-18 + }, + "S": { + "initial value [mol m-3]": 1.1e-26 + }, + "SO": { + "initial value [mol m-3]": 1.22e-20 + }, + "OCS": { + "initial value [mol m-3]": 1.96e-08 + }, + "SO3": { + "initial value [mol m-3]": 1.75e-17 + }, + "ISOPNITB": { + "initial value [mol m-3]": 1.05e-09 + }, + "SOAG4": { + "initial value [mol m-3]": 2.25e-08 + }, + "SOAG3": { + "initial value [mol m-3]": 4.27e-09 + }, + "SOAG2": { + "initial value [mol m-3]": 1.4e-09 + }, + "SOAG1": { + "initial value [mol m-3]": 2.14e-10 + }, + "SOAG0": { + "initial value [mol m-3]": 3.33e-11 + }, + "MACROOH": { + "initial value [mol m-3]": 1.21e-09 + }, + "MVK": { + "initial value [mol m-3]": 2.61e-08 + }, + "PAN": { + "initial value [mol m-3]": 4.25e-08 + }, + "BZOO": { + "initial value [mol m-3]": 8.81e-13 + }, + "BENZO2": { + "initial value [mol m-3]": 2.09e-13 + }, + "F": { + "initial value [mol m-3]": 3.89e-28 + }, + "HF": { + "initial value [mol m-3]": 1.81e-11 + }, + "COFCL": { + "initial value [mol m-3]": 7.92e-12 + }, + "COF2": { + "initial value [mol m-3]": 5.24e-11 + }, + "C6H5OOH": { + "initial value [mol m-3]": 4.2e-10 + }, + "BZOOH": { + "initial value [mol m-3]": 2.68e-11 + }, + "ALKNIT": { + "initial value [mol m-3]": 8.72e-10 + }, + "N2": { + "initial value [mol m-3]": 33.1007671 + }, + "O2": { + "initial value [mol m-3]": 8.90261411 + } + }, + "environmental conditions": { + "temperature": { + "initial value [K]": 287.45 + }, + "pressure": { + "initial value [Pa]": 1013.199 + } + }, + "evolving conditions": {}, + "initial conditions": { + }, + "model components": [ + { + "type": "CAMP", + "configuration file": "camp_data/config.json", + "override species": { + "M": { + "mixing ratio mol mol-1": 1.0 + } + }, + "suppress output": { + "M": {} + } + } + ] +} \ No newline at end of file diff --git a/src/acom_music_box/examples/examples.py b/src/acom_music_box/examples/examples.py index e3dbc335..d030e26c 100644 --- a/src/acom_music_box/examples/examples.py +++ b/src/acom_music_box/examples/examples.py @@ -41,10 +41,15 @@ class _Examples: short_name='Analytical', folder_name='analytical', description='An example of an analytical solution to a simple chemical system') + TS1 = Example.from_config( + display_name='Tropical Stratosphere 1', + short_name='TS1', + folder_name='ts1', + description='Many species involved in tropospheric-stratospheric chemistry') @classmethod def get_all(cls): - return [cls.CarbonBond5, cls.Chapman, cls.FlowTube, cls.Analytical] + return [cls.CarbonBond5, cls.Chapman, cls.FlowTube, cls.Analytical, cls.TS1] def __iter__(self): return iter(self.get_all())