摘要
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 0K to random temperature. The results are in good agreement with JANAF experimental value. In contrast to SGTE database,the thermodynamic properties from 0K to 298.15 K are implemented.
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.
出处
《中国有色金属学会会刊：英文版》
EI
CSCD
2009年第2期428-432,共5页
Transactions of Nonferrous Metals Society of China
基金
Project(50471058) supported by the National Natural Science Foundation of China
Project(08JJ3099) supported by the Natural Science Foundation of Hunan Province, China
Project supported by the State Key Laboratory of Powder Metallurgy, China
