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Table C.1
G(N) [kJ mol−1] temperature dependent polynomial fit coefficients for Eq. (17).
| N | a | b | c | d | e |
|---|---|---|---|---|---|
| 1 | - 1.63472903E + 03 | - 2.29197239E + 02 | - 3.60996766E – 02 | 1.60056318E – 05 | - 2.02075337E – 09 |
| 2 | - 4.39367806E + 03 | - 9.77431160E + 02 | 1.01656231E – 01 | 2.16685151E – 05 | - 2.90960794E – 09 |
| 3 | - 7.27464297E + 03 | - 1.72789122E + 03 | 2.40409836E – 01 | 2.74002833E – 05 | - 3.81294573E – 09 |
| 4 | - 1.02808569E + 04 | - 2.51074121E + 03 | 4.15061961E – 01 | 3.30076021E – 05 | - 4.69138304E – 09 |
| 5 | - 1.37139638E + 04 | - 3.27506794E + 03 | 5.73212328E – 01 | 4.12461166E – 05 | - 6.14829810E – 09 |
| 6 | - 1.60124756E + 04 | - 4.13772573E + 03 | 7.32672450E – 01 | 4.44131101E – 05 | - 6.48290229E – 09 |
| 7 | - 1.89334054E + 04 | - 4.91964308E + 03 | 8.93689186E – 01 | 4.99942488E – 05 | - 7.35905348E – 09 |
| 8 | - 2.17672541E + 04 | - 5.72392348E + 03 | 1.05703014E + 00 | 5.57819924E – 05 | - 8.27043313E – 09 |
| 9 | - 2.48377680E + 04 | - 6.51357184E + 03 | 1.22288686E + 00 | 6.10116309E – 05 | – 9.08225913E – 09 |
| 10 | - 2.76078426E + 04 | - 7.34516329E + 03 | 1.37500651E + 00 | 6.70631142E – 05 | – 1.00410219E – 08 |
Notes. The coefficients were calculated using the SciPy (curve_fit) non-linear least squares fitting routine. Valid over the temperature range T = 500 – 2000 K.
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