[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:
Ray Speth
2022-04-25 13:11:57 -04:00
committed by Bryan Weber
parent 677558c552
commit 2b111e6744
+50 -24
View File
@@ -547,11 +547,14 @@ species:
composition: {Br: 2}
thermo:
model: NASA7
temperature-ranges: [265.9, 332.503]
temperature-ranges: [265.9, 332.503, 6000.0]
data:
- [10.4252937, 0.111181227, -1.06856988e-03, 3.25976572e-06, -3.27490398e-09,
-3506.20403, -49.0757083]
note: L 1/93
- [9.05669727, 0.0, 0.0, 0.0, 0.0, -2699.88017, -33.2936281]
note: >
L 1/93; This is a combination of the 7-coefficient polynomials below and above the
normal boiling point (332.503 K) given by McBride et al. (1993)
- name: C(gr)
composition: {C: 1}
thermo:
@@ -751,12 +754,19 @@ species:
- name: Cr(cr)
composition: {Cr: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 311.5]
model: NASA9
temperature-ranges: [200.0, 311.5, 1000.0, 2130.0]
data:
- [7.84826024, -0.11627602, 8.12369251e-04, -2.30807086e-06, 2.35328142e-09,
-898.013946, -27.5733139]
note: J 6/73
- [0.0, 0.0, 7.84826024, -0.11627602, 8.12369251e-04, -2.30807086e-06,
2.35328142e-09, -898.013946, -27.5733139]
- [0.0, 0.0, 1.82863471, 4.19562267e-03, -2.82735082e-06, -9.15990578e-10,
1.5520304e-12, -705.502663, -8.69806103]
- [0.0, 0.0, 4.59782637, -4.81791132e-03, 5.84129754e-06, -2.07036847e-09,
2.82102268e-13, -1314.89668, -22.4454748]
note: >
J 6/73; This is a combination of the polynomials given by McBride et al. (1993)
for the regions below and above the "Cp lambda maximum transition" indicated at
311.5 K in the JANAF table.
- name: Cr(L)
composition: {Cr: 1}
thermo:
@@ -1044,14 +1054,18 @@ species:
- name: Fe(a)
composition: {Fe: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 1042.0]
model: NASA9
temperature-ranges: [200.0, 1000.0, 1042.0, 1184.0]
data:
- [2.41337476, -1.57780744e-03, 2.14701339e-05, -3.80171438e-08, 2.20426984e-11,
-774.380998, -10.6560296]
- [4690.80173, -9.90659991, 2.69427446e-03, 5.54445321e-06, -3.01659823e-09,
-1.41547586e+06, -2.49294387e+04]
note: J 3/78
- [0.0, 0.0, 2.41337476, -1.57780744e-03, 2.14701339e-05, -3.80171438e-08,
2.20426984e-11, -774.380998, -10.6560296]
- [0.0, 0.0, 4690.80173, -9.90659991, 2.69427446e-03, 5.54445321e-06,
-3.01659823e-09, -1.41547586e+06, -2.49294387e+04]
- [0.0, 0.0, 659.678809, -1.14058217, 4.96306997e-04, 0.0, 0.0, -2.52106802e+05,
-3656.65236]
note: >
J 3/78; This is a combination of the 7-coefficient polynomials below and above the
Curie temperature (1042 K) for Fe(a) given by McBride et al. (1993).
- name: Fe(c)
composition: {Fe: 1}
thermo:
@@ -2508,12 +2522,18 @@ species:
- name: Ni(cr)
composition: {Ni: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 631.0]
model: NASA9
temperature-ranges: [200.0, 631.0, 1000.0, 1728.0]
data:
- [3.92097614, -0.0234184719, 1.34230145e-04, -2.75971639e-07, 1.98530861e-10,
-862.387206, -15.6856186]
note: J12/76
- [0.0, 0.0, 3.92097614, -0.0234184719, 1.34230145e-04, -2.75971639e-07,
1.98530861e-10, -862.387206, -15.6856186]
- [0.0, 0.0, 485.484877, -2.3039538, 4.10622634e-03, -3.23350101e-06,
9.49617381e-10, -8.11709085e+04, -2254.2896]
- [0.0, 0.0, 9.58208572, -0.0178945122, 1.97185112e-05, -9.11957952e-09,
1.58728609e-12, -2617.82185, -47.4612393]
note: >
J12/76; This is a combination of the 7-coefficient polynomials below and above the
Curie temperature (631 K) for Ni(cr) given by McBride et al. (1993).
- name: Ni(L)
composition: {Ni: 1}
thermo:
@@ -3479,12 +3499,18 @@ species:
- name: ZnSO4(a)
composition: {Zn: 1, S: 1, O: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 540.0]
model: NASA9
temperature-ranges: [300.0, 540.0, 1000.0, 1013.0]
data:
- [5.1657364, 0.023977394, -3.0700744e-06, -4.8450164e-09, 0.0, -1.2045359e+05,
-23.105369]
note: J 3/79
- [0.0, 0.0, 5.1657364, 0.023977394, -3.0700744e-06, -4.8450164e-09, 0.0,
-1.2045359e+05, -23.105369]
- [0.0, 0.0, 15.553495, 2.7737319e-03, -3.8034721e-06, 4.0845543e-09,
-1.5289562e-12, -1.225049e+05, -76.221684]
- [0.0, 0.0, 15.895259, 1.1840942e-03, 0.0, 0.0, 0.0, -1.2260433e+05, -77.915322]
note: >
J 3/79; This is a combination of the polynomials given by McBride et al. (1993)
for the regions below and above the "I-II transition" indicated at 540 K in the
JANAF table.
- name: ZnSO4(b)
composition: {Zn: 1, S: 1, O: 4}
thermo: