Research Article
Potential Functions and Thermodynamic Properties of UC, UN, and UH
Table 2
Entropy and heat capacity of UC.
| | Temp. (K) | DFT-PBE1 | Morse | | CP (J/mol/K) | S (J/mol/K) | CP (J/mol/K) | S (J/mol/K) |
| | 298.2 | 31.60 | 239.09 | 31.96 | 239.26 | | 400.0 | 33.24 | 248.61 | 33.58 | 248.89 | | 500.0 | 34.36 | 256.16 | 34.65 | 256.51 | | 600.0 | 35.13 | 262.49 | 35.36 | 262.89 | | 700.0 | 35.65 | 267.95 | 35.84 | 268.38 | | 800.0 | 36.02 | 272.73 | 36.18 | 273.19 | | 900.0 | 36.29 | 276.99 | 36.42 | 277.46 | | 1000.0 | 36.49 | 280.82 | 36.60 | 281.31 | | 1100.0 | 36.64 | 284.31 | 36.73 | 284.80 | | 1200.0 | 36.76 | 287.50 | 36.84 | 288.00 | | 1300.0 | 36.85 | 290.44 | 36.92 | 290.95 | | 1400.0 | 36.93 | 293.18 | 36.98 | 293.69 | | 1500.0 | 36.99 | 295.73 | 37.04 | 296.24 |
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