3028c14a10
Only treat activation energies as a special case, rather than all molar energies. Units of activation energy can be set either explicitly or by setting units for energy and quantity. Only the case where activation energies are given as temperatures needs to be specified explicitly. Allow setting of default energy units, which allows calories to be used. Also add dyn/cm^2 as an option for pressure units.
39 lines
1.1 KiB
YAML
39 lines
1.1 KiB
YAML
units: {length: cm, time: s, quantity: mol, energy: cal}
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isotopes:
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- symbol: Ar
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atomic-weight: 38
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- symbol: O18
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atomic-weight: 18
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species:
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- name: NO2
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composition: {N: 1, O: 2}
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thermo:
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model: NASA7
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temperature-ranges: [200.00, 1000.00, 6000.00]
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data:
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- [3.944031200E+00, -1.585429000E-03, 1.665781200E-05, -2.047542600E-08,
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7.835056400E-12, 2.896617900E+03, 6.311991700E+00]
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- [4.884754200E+00, 2.172395600E-03, -8.280690600E-07, 1.574751000E-10,
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-1.051089500E-14, 2.316498300E+03, -1.174169500E-01]
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note: "L 7/88"
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- name: N2O
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composition: {N: 2, O: 1}
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thermo:
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model: NASA7
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temperature-ranges: [200.00, 1000.00, 6000.00]
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data:
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- [2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09,
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-2.930718200E-12, 8.741774400E+03, 1.075799200E+01]
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- [4.823072900E+00, 2.627025100E-03, -9.585087400E-07, 1.600071200E-10,
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-9.775230300E-15, 8.073404800E+03, -2.201720700E+00]
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note: "L 7/88"
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nox-reactions:
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- equation: N2O (+ M) <=> N2 + O (+ M)
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type: falloff
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high-P-rate-constant: [7.91000E+10, 0, 56020]
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low-P-rate-constant: [6.37000E+14, 0, 56640]
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efficiencies: {AR: 0.625}
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