Research Article

Potential Functions and Thermodynamic Properties of UC, UN, and UH

Table 2

Entropy and heat capacity of UC.

Temp. (K)DFT-PBE1Morse
CP (J/mol/K)S (J/mol/K)CP (J/mol/K)S (J/mol/K)

298.231.60239.0931.96239.26
400.033.24248.6133.58248.89
500.034.36256.1634.65256.51
600.035.13262.4935.36262.89
700.035.65267.9535.84268.38
800.036.02272.7336.18273.19
900.036.29276.9936.42277.46
1000.036.49280.8236.60281.31
1100.036.64284.3136.73284.80
1200.036.76287.5036.84288.00
1300.036.85290.4436.92290.95
1400.036.93293.1836.98293.69
1500.036.99295.7337.04296.24