294 lines
12 KiB
YAML
294 lines
12 KiB
YAML
generator: ck2yaml
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input-files: [mythermo_si.txt]
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cantera-version: 3.0.1
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date: Sun, 04 Aug 2024 14:04:08 +0000
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units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol}
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species:
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- name: H
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composition: {H: 1}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
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data:
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- [0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0, 2.547370801e+04, -0.446682853]
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- [60.7877425, -0.1819354417, 2.500211817, -1.226512864e-07, 3.73287633e-11,
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-5.68774456e-15, 3.410210197e-19, 2.547486398e+04, -0.448191777]
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- [2.173757694e+08, -1.312035403e+05, 33.991742, -3.81399968e-03, 2.432854837e-07,
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-7.69427554e-12, 9.64410563e-17, 1.067638086e+06, -274.2301051]
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note: D0(H2):Herzberg,1970. Moore,1972. Gordon,1999. [g 6/97]
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- name: HO2
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composition: {H: 1, O: 2}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [-7.59888254e+04, 1329.383918, -4.67738824, 0.02508308202, -3.006551588e-05,
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1.895600056e-08, -4.82856739e-12, -5873.35096, 51.9360214]
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- [-1.810669724e+06, 4963.19203, -1.039498992, 4.56014853e-03, -1.061859447e-06,
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1.144567878e-10, -4.76306416e-15, -3.20081719e+04, 40.6685092]
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note: Hf:Hills,1984 & NASA data. Jacox,1998 p153. [g 4/02]
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- name: H2
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composition: {H: 2}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
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data:
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- [4.07832321e+04, -800.918604, 8.21470201, -0.01269714457, 1.753605076e-05,
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-1.20286027e-08, 3.36809349e-12, 2682.484665, -30.43788844]
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- [5.60812801e+05, -837.150474, 2.975364532, 1.252249124e-03, -3.74071619e-07,
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5.9366252e-11, -3.6069941e-15, 5339.82441, -2.202774769]
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- [4.96688412e+08, -3.147547149e+05, 79.8412188, -8.41478921e-03, 4.75324835e-07,
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-1.371873492e-11, 1.605461756e-16, 2.488433516e+06, -669.572811]
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note: Ref-Elm. Gurvich,1978 pt1 p103 pt2 p31. [tpis78]
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- name: H2O
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composition: {H: 2, O: 1}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [-3.94796083e+04, 575.573102, 0.931782653, 7.22271286e-03, -7.34255737e-06,
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4.95504349e-09, -1.336933246e-12, -3.30397431e+04, 17.24205775]
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- [1.034972096e+06, -2412.698562, 4.64611078, 2.291998307e-03, -6.83683048e-07,
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9.42646893e-11, -4.82238053e-15, -1.384286509e+04, -7.97814851]
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note: Hf:Cox,1989. Woolley,1987. TRC(10/88) tuv25. [g 8/89]
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- name: H2O2
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composition: {H: 2, O: 2}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [-9.27953358e+04, 1564.748385, -5.97646014, 0.0327074452, -3.93219326e-05,
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2.509255235e-08, -6.46504529e-12, -2.494004728e+04, 58.7717418]
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- [1.489428027e+06, -5170.82178, 11.2820497, -8.04239779e-05, -1.818383769e-08,
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6.94726559e-12, -4.8278319e-16, 1.418251038e+04, -46.5085566]
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note: Hf:Gurvich,1989 pt1 p127. Gurvich,1978 pt1 p121. [g 6/99]
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- name: O
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composition: {O: 1}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
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data:
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- [-7953.6113, 160.7177787, 1.966226438, 1.01367031e-03, -1.110415423e-06,
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6.5175075e-10, -1.584779251e-13, 2.840362437e+04, 8.40424182]
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- [2.619020262e+05, -729.872203, 3.31717727, -4.28133436e-04, 1.036104594e-07,
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-9.43830433e-12, 2.725038297e-16, 3.39242806e+04, -0.667958535]
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- [1.779004264e+08, -1.082328257e+05, 28.10778365, -2.975232262e-03,
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1.854997534e-07, -5.79623154e-12, 7.191720164e-17, 8.89094263e+05,
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-218.1728151]
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note: D0(O2):Brix,1954. Moore,1976. Gordon,1999. [g 5/97]
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- name: OH
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composition: {O: 1, H: 1}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
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data:
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- [-1998.85899, 93.0013616, 3.050854229, 1.529529288e-03, -3.157890998e-06,
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3.31544618e-09, -1.138762683e-12, 2991.214235, 4.67411079]
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- [1.017393379e+06, -2509.957276, 5.11654786, 1.30529993e-04, -8.28432226e-08,
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2.006475941e-11, -1.556993656e-15, 2.019640206e+04, -11.01282337]
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- [2.847234193e+08, -1.859532612e+05, 50.082409, -5.14237498e-03, 2.875536589e-07,
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-8.22881796e-12, 9.56722902e-17, 1.468393908e+06, -402.355558]
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note: 'D0(H-OH): Ruscic,2002. Gurvich,1978 pt1 p110 pt2 p37. [g 4/02]'
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- name: O2
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composition: {O: 2}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
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data:
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- [-3.42556342e+04, 484.700097, 1.119010961, 4.29388924e-03, -6.83630052e-07,
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-2.0233727e-09, 1.039040018e-12, -3391.45487, 18.4969947]
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- [-1.037939022e+06, 2344.830282, 1.819732036, 1.267847582e-03, -2.188067988e-07,
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2.053719572e-11, -8.19346705e-16, -1.689010929e+04, 17.38716506]
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- [4.9752943e+08, -2.866106874e+05, 66.9035225, -6.16995902e-03, 3.016396027e-07,
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-7.4214166e-12, 7.27817577e-17, 2.293554027e+06, -553.062161]
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note: Ref-Elm. Gurvich,1989 pt1 p94 pt2 p9. [tpis89]
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- name: O3
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composition: {O: 3}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [-1.282314507e+04, 589.821664, -2.547496763, 0.02690121526, -3.52825834e-05,
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2.312290922e-08, -6.04489327e-12, 1.348368701e+04, 38.5221858]
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- [-3.86966248e+07, 1.023344994e+05, -89.615516, 0.0370614497, -4.13763874e-06,
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-2.725018591e-10, 5.24818811e-14, -6.51791818e+05, 702.910952]
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note: Gurvich,1989 pt1 p101 pt2 p15. [g 8/01]
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- name: Si
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composition: {Si: 1}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
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data:
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- [98.3614081, 154.6544523, 1.87643667, 1.320637995e-03, -1.529720059e-06,
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8.95056277e-10, -1.95287349e-13, 5.26351031e+04, 9.69828888]
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- [-6.16929885e+05, 2240.683927, -0.444861932, 1.710056321e-03, -4.10771416e-07,
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4.55888478e-11, -1.889515353e-15, 3.95355876e+04, 26.79668061]
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- [-9.28654894e+08, 5.44398989e+05, -120.6739736, 0.01359662698, -7.60649866e-07,
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2.149746065e-11, -2.474116774e-16, -4.29379212e+06, 1086.382839]
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note: Hf:Cox,1989. NIST data version1.1 [Online]1997. Gordon,1999. [g
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8/97]
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- name: SiH
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composition: {Si: 1, H: 1}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [-6426.6763, 74.1725121, 3.9734916, -4.14940888e-03, 1.022918384e-05,
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-8.59238636e-09, 2.567093743e-12, 4.2817458e+04, 2.24693715]
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- [4.04208649e+05, -2364.796524, 7.62749914, -2.496591233e-03, 1.10843641e-06,
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-1.943991955e-10, 1.136251507e-14, 5.70473768e+04, -24.48054429]
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note: Gurvich,1991 pt1 p257 pt2 p234. [tpis91]
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- name: SiH2
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composition: {Si: 1, H: 2}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [-2.063863564e+04, 330.58622, 2.099271145, 3.54253937e-03, 3.37887667e-06,
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-5.38384562e-09, 2.081191273e-12, 3.011784298e+04, 12.8233357]
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- [4.62403937e+06, -1.14343611e+04, 12.6488087, 9.1148995e-04, -8.76661154e-07,
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1.646297357e-10, -9.96509037e-15, 1.072475101e+05, -66.0607807]
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note: Gurvich,1991 pt1 p260. Fredin,1985. Dubois,1968. [g 3/01]
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- name: SiH3
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composition: {Si: 1, H: 3}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [4341.14282, 227.7185085, 0.650825035, 0.01221438558, -4.34760427e-06,
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-1.774916828e-09, 1.184191367e-12, 2.259993826e+04, 19.68347482]
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- [6.05632122e+05, -4721.25406, 13.29129523, -1.256824868e-03, 2.68828594e-07,
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-3.010741582e-11, 1.370945857e-15, 4.97442064e+04, -61.405031]
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note: Gurvich,1991 pt1 p261 pt2 p236. [g 3/99]
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- name: SiH4
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composition: {Si: 1, H: 4}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [7.87299329e+04, -552.608705, 2.498944303, 0.01442118274, -8.46710731e-06,
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2.726164641e-09, -5.43675437e-13, 6269.66906, 4.96546183]
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- [1.29037874e+06, -7813.39978, 18.28851664, -1.975620946e-03, 4.15650215e-07,
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-4.59674561e-11, 2.072777131e-15, 4.76688795e+04, -98.0169746]
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note: Silane. Gurvich,1991 pt1 p263 pt 2 p237. [tpis91]
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- name: SiO
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composition: {Si: 1, O: 1}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [-4.72277105e+04, 806.313764, -1.636976133, 0.01454275546, -1.723202046e-05,
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1.04239734e-08, -2.559365273e-12, -1.666585903e+04, 33.557957]
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- [-1.765134162e+05, -31.9917709, 4.47744193, 4.59176471e-06, 3.55814315e-08,
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-1.327012559e-11, 1.613253297e-15, -1.35084236e+04, -0.838695733]
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note: Gurvich,1991 pt1 p247 pt2 p227 [tpis91]
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- name: SiO2
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composition: {Si: 1, O: 2}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [-3.36294878e+04, 473.407892, 0.2309770671, 0.01850230806, -2.242786671e-05,
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1.364981554e-08, -3.35193503e-12, -4.22648749e+04, 22.95803206]
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- [-1.464031193e+05, -626.144106, 7.96456371, -1.854119096e-04, 4.09521467e-08,
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-4.69720676e-12, 2.17805428e-16, -3.79183477e+04, -20.45285414]
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note: Gurvich,1991 pt1 p256 pt2 p233. [tpis91]
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- name: Si2
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composition: {Si: 2}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [1.237596221e+04, -102.4904376, 4.35484852, 1.281063335e-03, -2.531991623e-06,
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2.265694244e-09, -7.00129014e-13, 6.90694285e+04, 3.2511252]
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- [1.370060657e+06, -4207.06004, 9.33743289, -2.749217168e-03, 9.58634596e-07,
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-1.372449748e-10, 6.7650281e-15, 9.51088454e+04, -31.6838519]
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note: Gurvich,1991 pt1 p240 pt2 p225. [tpis91]
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- name: Si3
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composition: {Si: 3}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [-1.114208177e+04, 157.5785843, 2.486135003, 0.01631637255, -2.208240021e-05,
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1.372008287e-08, -3.2623307e-12, 7.32825385e+04, 15.88081347]
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- [-1.699395561e+06, 4697.81538, 2.618198124, 1.959082075e-03, -2.581160603e-07,
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6.10344486e-12, 6.08630924e-16, 4.27791681e+04, 25.86540384]
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note: Gurvich,1991 pt1 p246 pt2 p226. [g 7/95]
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- name: H2O(cr)
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composition: {H: 2, O: 1}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 273.15]
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data:
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- [-4.02677748e+05, 2747.887946, 57.3833663, -0.826791524, 4.41308798e-03,
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-1.054251164e-05, 9.69449597e-09, -5.53031499e+04, -190.2572063]
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note: Ice. Gordon,1982. [g11/99]
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- name: H2O(L)
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composition: {H: 2, O: 1}
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thermo:
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model: NASA9
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temperature-ranges: [273.15, 373.15, 600.0]
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data:
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- [1.326371304e+09, -2.448295388e+07, 1.879428776e+05, -767.899505,
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1.761556813, -2.151167128e-03, 1.092570813e-06, 1.101760476e+08, -9.77970097e+05]
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- [1.263631001e+09, -1.680380249e+07, 9.27823479e+04, -272.237395, 0.447924376,
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-3.91939743e-04, 1.425743266e-07, 8.11317688e+07, -5.13441808e+05]
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note: Liquid. Cox,1989. Haar,1984. Keenan,1984. Stimson,1969. [g 8/01]
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- name: Si(cr)
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composition: {Si: 1}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 298.15, 1690.0]
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data:
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- [-2.323538208e+04, 0.0, 2.10202168, 1.809220552e-03, 0.0, 0.0, 0.0,
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-785.063521, -10.38427318]
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- [-5.23255974e+04, 0.0, 2.850169415, 3.97516697e-04, 0.0, 0.0, 0.0,
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-1042.947234, -14.38964187]
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note: Cubic. Ref-Elm. Gurvich,1991 pt1 p236 pt2 p220. [tpis91]
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- name: Si(L)
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composition: {Si: 1}
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thermo:
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model: NASA9
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temperature-ranges: [1690.0, 6000.0]
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data:
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- [0.0, 0.0, 3.271389414, 0.0, 0.0, 0.0, 0.0, 4882.66711, -13.26611073]
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note: Liquid. Ref-Elm. Gurvich,1991 pt1 p236 pt2 p220. [tpis91]
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- name: SiO2(a-qz)
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composition: {Si: 1, O: 2}
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thermo:
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model: NASA9
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temperature-ranges: [200.0, 848.0]
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data:
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- [-5.7768955e+05, 7214.66111, -31.45730294, 0.0741217715, -8.67007782e-06,
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-1.080461312e-07, 8.31632491e-11, -1.462398375e+05, 184.2424399]
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note: Alpha-quartz,hexagonal. Gurvich,1991 pt1 p250 pt2 p228. [tpis91]
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- name: SiO2(b-qz)
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composition: {Si: 1, O: 2}
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thermo:
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model: NASA9
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temperature-ranges: [848.0, 1200.0]
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data:
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- [2.317635074e+04, 0.0, 7.026511484, 1.241925261e-03, 0.0, 0.0, 0.0,
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-1.117012474e+05, -35.80751356]
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note: Beta-quartz,hexagonal. Gurvich,1991 pt1 p250 pt2 p228. [tpis91]
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- name: SiO2(b-crt)
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composition: {Si: 1, O: 2}
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thermo:
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model: NASA9
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temperature-ranges: [1200.0, 1996.0]
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data:
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- [-5.356419079e+05, 0.0, 9.331036946, -7.306503931e-04, 3.339944266e-07,
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0.0, 0.0, -1.134326721e+05, -49.98768383]
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note: Beta-cristobalite,cubic. Gurvich,1991 pt1 p250 pt2 p228. [tpis91]
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- name: SiO2(L)
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composition: {Si: 1, O: 2}
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thermo:
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model: NASA9
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temperature-ranges: [1996.0, 6000.0]
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data:
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- [0.0, 0.0, 10.04268442, 0.0, 0.0, 0.0, 0.0, -1.140002976e+05, -55.54279592]
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note: Liquid. Gurvich,1991 pt1 p250 pt2 p228. [tpis91]
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