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[data] Add condensed species data for missing T ranges
A few condensed-phase species from the NASA dataset had two sets of coefficients with the same species "name" for adjacent temperature ranges. These apparent duplicates were removed by ck2yaml. This update combines the data from these pairs of entries for these species.
This commit is contained in:
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@@ -547,11 +547,14 @@ species:
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composition: {Br: 2}
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thermo:
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model: NASA7
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temperature-ranges: [265.9, 332.503]
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temperature-ranges: [265.9, 332.503, 6000.0]
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data:
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- [10.4252937, 0.111181227, -1.06856988e-03, 3.25976572e-06, -3.27490398e-09,
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-3506.20403, -49.0757083]
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note: L 1/93
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- [9.05669727, 0.0, 0.0, 0.0, 0.0, -2699.88017, -33.2936281]
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note: >
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L 1/93; This is a combination of the 7-coefficient polynomials below and above the
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normal boiling point (332.503 K) given by McBride et al. (1993)
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- name: C(gr)
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composition: {C: 1}
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thermo:
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@@ -751,12 +754,19 @@ species:
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- name: Cr(cr)
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composition: {Cr: 1}
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thermo:
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model: NASA7
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temperature-ranges: [200.0, 311.5]
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model: NASA9
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temperature-ranges: [200.0, 311.5, 1000.0, 2130.0]
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data:
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- [7.84826024, -0.11627602, 8.12369251e-04, -2.30807086e-06, 2.35328142e-09,
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-898.013946, -27.5733139]
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note: J 6/73
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- [0.0, 0.0, 7.84826024, -0.11627602, 8.12369251e-04, -2.30807086e-06,
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2.35328142e-09, -898.013946, -27.5733139]
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- [0.0, 0.0, 1.82863471, 4.19562267e-03, -2.82735082e-06, -9.15990578e-10,
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1.5520304e-12, -705.502663, -8.69806103]
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- [0.0, 0.0, 4.59782637, -4.81791132e-03, 5.84129754e-06, -2.07036847e-09,
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2.82102268e-13, -1314.89668, -22.4454748]
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note: >
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J 6/73; This is a combination of the polynomials given by McBride et al. (1993)
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for the regions below and above the "Cp lambda maximum transition" indicated at
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311.5 K in the JANAF table.
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- name: Cr(L)
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composition: {Cr: 1}
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thermo:
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@@ -1044,14 +1054,18 @@ species:
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- name: Fe(a)
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composition: {Fe: 1}
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thermo:
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model: NASA7
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temperature-ranges: [200.0, 1000.0, 1042.0]
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 1042.0, 1184.0]
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data:
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- [2.41337476, -1.57780744e-03, 2.14701339e-05, -3.80171438e-08, 2.20426984e-11,
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-774.380998, -10.6560296]
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- [4690.80173, -9.90659991, 2.69427446e-03, 5.54445321e-06, -3.01659823e-09,
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-1.41547586e+06, -2.49294387e+04]
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note: J 3/78
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- [0.0, 0.0, 2.41337476, -1.57780744e-03, 2.14701339e-05, -3.80171438e-08,
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2.20426984e-11, -774.380998, -10.6560296]
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- [0.0, 0.0, 4690.80173, -9.90659991, 2.69427446e-03, 5.54445321e-06,
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-3.01659823e-09, -1.41547586e+06, -2.49294387e+04]
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- [0.0, 0.0, 659.678809, -1.14058217, 4.96306997e-04, 0.0, 0.0, -2.52106802e+05,
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-3656.65236]
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note: >
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J 3/78; This is a combination of the 7-coefficient polynomials below and above the
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Curie temperature (1042 K) for Fe(a) given by McBride et al. (1993).
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- name: Fe(c)
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composition: {Fe: 1}
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thermo:
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@@ -2508,12 +2522,18 @@ species:
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- name: Ni(cr)
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composition: {Ni: 1}
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thermo:
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model: NASA7
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temperature-ranges: [200.0, 631.0]
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model: NASA9
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temperature-ranges: [200.0, 631.0, 1000.0, 1728.0]
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data:
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- [3.92097614, -0.0234184719, 1.34230145e-04, -2.75971639e-07, 1.98530861e-10,
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-862.387206, -15.6856186]
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note: J12/76
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- [0.0, 0.0, 3.92097614, -0.0234184719, 1.34230145e-04, -2.75971639e-07,
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1.98530861e-10, -862.387206, -15.6856186]
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- [0.0, 0.0, 485.484877, -2.3039538, 4.10622634e-03, -3.23350101e-06,
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9.49617381e-10, -8.11709085e+04, -2254.2896]
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- [0.0, 0.0, 9.58208572, -0.0178945122, 1.97185112e-05, -9.11957952e-09,
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1.58728609e-12, -2617.82185, -47.4612393]
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note: >
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J12/76; This is a combination of the 7-coefficient polynomials below and above the
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Curie temperature (631 K) for Ni(cr) given by McBride et al. (1993).
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- name: Ni(L)
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composition: {Ni: 1}
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thermo:
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@@ -3479,12 +3499,18 @@ species:
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- name: ZnSO4(a)
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composition: {Zn: 1, S: 1, O: 4}
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thermo:
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model: NASA7
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temperature-ranges: [300.0, 540.0]
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model: NASA9
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temperature-ranges: [300.0, 540.0, 1000.0, 1013.0]
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data:
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- [5.1657364, 0.023977394, -3.0700744e-06, -4.8450164e-09, 0.0, -1.2045359e+05,
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-23.105369]
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note: J 3/79
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- [0.0, 0.0, 5.1657364, 0.023977394, -3.0700744e-06, -4.8450164e-09, 0.0,
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-1.2045359e+05, -23.105369]
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- [0.0, 0.0, 15.553495, 2.7737319e-03, -3.8034721e-06, 4.0845543e-09,
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-1.5289562e-12, -1.225049e+05, -76.221684]
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- [0.0, 0.0, 15.895259, 1.1840942e-03, 0.0, 0.0, 0.0, -1.2260433e+05, -77.915322]
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note: >
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J 3/79; This is a combination of the polynomials given by McBride et al. (1993)
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for the regions below and above the "I-II transition" indicated at 540 K in the
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JANAF table.
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- name: ZnSO4(b)
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composition: {Zn: 1, S: 1, O: 4}
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thermo:
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