Research Article
Potential Functions and Thermodynamic Properties of UC, UN, and UH
Table 3
Entropy and heat capacity of UN.
| | Temp. (K) | DFT-PBE1 | Morse | | CP (J/mol/K) | S (J/mol/K) | CP (J/mol/K) | S (J/mol/K) |
| | 298.2 | 31.26 | 239.34 | 31.74 | 239.55 | | 400.0 | 32.88 | 248.76 | 33.37 | 249.12 | | 500.0 | 34.06 | 256.23 | 34.48 | 256.69 | | 600.0 | 34.87 | 262.51 | 35.22 | 263.04 | | 700.0 | 35.45 | 267.93 | 35.73 | 268.51 | | 800.0 | 35.85 | 272.69 | 36.08 | 273.30 | | 900.0 | 36.15 | 276.93 | 36.34 | 277.57 | | 1000.0 | 36.37 | 280.75 | 36.53 | 281.41 | | 1100.0 | 36.54 | 284.22 | 36.68 | 284.89 | | 1200.0 | 36.67 | 287.41 | 36.79 | 288.09 | | 1300.0 | 36.78 | 290.35 | 36.88 | 291.04 | | 1400.0 | 36.86 | 293.08 | 36.95 | 293.77 | | 1500.0 | 36.93 | 295.62 | 37.01 | 296.32 |
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