中國(guó)有色金屬學(xué)報(bào)(英文版)
Transactions of Nonferrous Metals Society of China
| Vol. 19 No. 2 April 2009 |
（1. School of Chemistry and Chemical Engineering, Central South University,
Changsha 410083, China;
2. School of Materials Science and Engineering, Central South University,
Changsha 410083, China）
Abstract: Isometric heat capacity cv and isobaric heat capacity cp of Pt with stable and metastable phases were calculated by using pure element systematic theory. These results are in excellent agreement with of SGTE (Scientific Group Thermodata Europe) database and JANAF (Joint Army-Navy-Air Force) experimental values. The calculation results of cv and cp of Pt metal in natural state are in good agreement with those calculated by FP(first-principles) method. It is found that the electron devotion to heat capacity is important to adjust in OA(one-atom) method while calculating heat capacity. The full information about thermodynamic properties of Pt metal with stable and metastable phases, such as entropy(S), enthalpy(H) and Gibbs energy(G) were calculated from 0 K to random temperature. The results are in good agreement with JANAF experimental value. In contrast to SGTE database, the thermodynamic properties from 0 K to 298.15 K are implemented.
Key words: Pt; heat capacity; thermodynamic property
