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tests/data/hte_COhydrogenation_0_measurement.archive.json
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,348 @@ | ||
| { | ||
| "data": { | ||
| "m_def": "nomad_catalysis.schema_packages.catalysis.CatalyticReaction", | ||
| "location": "hte", | ||
| "name": "CO_hydrogenation_hte_1.0", | ||
| "pretreatment": { | ||
| "time_on_stream": [ | ||
| 28800.0 | ||
| ], | ||
| "reagents": [ | ||
| { | ||
| "gas_concentration_in": [ | ||
| 0.1 | ||
| ], | ||
| "name": "argon" | ||
| }, | ||
| { | ||
| "gas_concentration_in": [ | ||
| 0.3 | ||
| ], | ||
| "name": "hydrogen" | ||
| }, | ||
| { | ||
| "gas_concentration_in": [ | ||
| 0.6 | ||
| ], | ||
| "name": "nitrogen" | ||
| } | ||
| ], | ||
| "set_pressure": [ | ||
| 100000 | ||
| ], | ||
| "set_temperature": [ | ||
| 553.15 | ||
| ], | ||
| "set_total_flow_rate": [ | ||
| 1e-06 | ||
| ] | ||
| }, | ||
| "reaction_type": "hydrogenation", | ||
| "reaction_conditions": { | ||
| "gas_hourly_space_velocity": [ | ||
| 2.8680555555555554 | ||
| ], | ||
| "reagents": [ | ||
| { | ||
| "gas_concentration_in": [ | ||
| 0.48 | ||
| ], | ||
| "name": "molecular hydrogen" | ||
| }, | ||
| { | ||
| "gas_concentration_in": [ | ||
| 0.22 | ||
| ], | ||
| "name": "carbon monoxide" | ||
| } | ||
| ], | ||
| "set_pressure": [ | ||
| 5000000 | ||
| ], | ||
| "set_temperature": [ | ||
| 543.15 | ||
| ] | ||
| }, | ||
| "reaction_name": "CO hydrogenation", | ||
| "results": [ | ||
| { | ||
| "products": [ | ||
| { | ||
| "name": "methane", | ||
| "selectivity": [ | ||
| 32.78 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "ethane", | ||
| "selectivity": [ | ||
| 6.85 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "propane", | ||
| "selectivity": [ | ||
| 4.78 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "ibutane", | ||
| "selectivity": [ | ||
| 0.0 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "nbutane", | ||
| "selectivity": [ | ||
| 2.44 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "ethene", | ||
| "selectivity": [ | ||
| 0.61 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "propene", | ||
| "selectivity": [ | ||
| 9.7 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "nictbutene", | ||
| "selectivity": [ | ||
| 4.78 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "npentene", | ||
| "selectivity": [ | ||
| 1.34 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "methanol", | ||
| "selectivity": [ | ||
| 0.22 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "ethanol", | ||
| "selectivity": [ | ||
| 8.07 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "propanol", | ||
| "selectivity": [ | ||
| 0.5 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "methylacetate", | ||
| "selectivity": [ | ||
| 0.09 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "ethylacetate", | ||
| "selectivity": [ | ||
| 0.54 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "aceticacid", | ||
| "selectivity": [ | ||
| 3.16 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "acetaldehyde", | ||
| "selectivity": [ | ||
| 11.25 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "unknown[%]", | ||
| "selectivity": [ | ||
| 3.65 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "p>=5c", | ||
| "selectivity": [ | ||
| 8.08 | ||
| ] | ||
| } | ||
| ], | ||
| "reactants_conversions": [ | ||
| { | ||
| "conversion": [ | ||
| 41.33 | ||
| ], | ||
| "name": "carbon monoxide" | ||
| } | ||
| ], | ||
| "rates": [ | ||
| { | ||
| "name": "carbon monoxide", | ||
| "rate": [ | ||
| 72.7659 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "methane", | ||
| "rate": [ | ||
| 13.44 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "ethane", | ||
| "rate": [ | ||
| 2.64 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "propane", | ||
| "rate": [ | ||
| 1.81 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "nbutane", | ||
| "rate": [ | ||
| 0.91 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "ibutane", | ||
| "rate": [ | ||
| 0.0 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "ipentane", | ||
| "rate": [ | ||
| 0.36 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "npentane", | ||
| "rate": [ | ||
| 0.67 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "ethene", | ||
| "rate": [ | ||
| 0.22 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "propene", | ||
| "rate": [ | ||
| 3.48 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "cbutene", | ||
| "rate": [ | ||
| 0.33 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "ibutene", | ||
| "rate": [ | ||
| 0.04 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "nbutene", | ||
| "rate": [ | ||
| 1.07 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "npentene", | ||
| "rate": [ | ||
| 0.48 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "methanol", | ||
| "rate": [ | ||
| 0.18 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "ethanol", | ||
| "rate": [ | ||
| 4.78 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "propanol", | ||
| "rate": [ | ||
| 0.26 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "methylacetate", | ||
| "rate": [ | ||
| 0.06 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "ethylacetate", | ||
| "rate": [ | ||
| 0.3 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "aceticacid", | ||
| "rate": [ | ||
| 2.43 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "acetaldehyde", | ||
| "rate": [ | ||
| 6.34 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "co2", | ||
| "rate": [ | ||
| 0.0 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "alkanes", | ||
| "rate": [ | ||
| 18.8 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "alkenes", | ||
| "rate": [ | ||
| 4.77 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "alcohol", | ||
| "rate": [ | ||
| 5.22 | ||
| ] | ||
| }, | ||
| { | ||
| "name": "c2poxy", | ||
| "rate": [ | ||
| 13.91 | ||
| ] | ||
| } | ||
| ] | ||
| } | ||
| ] | ||
| } | ||
| } |
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