摘要
运用Debye-Grüneisen模型研究纯金属Au在温度为0-298．15K时的低温热力学性质，实现模型修正计算得到的摩尔定压热容、焓、熵和Gibbs自由能等热力学性质与SGTE纯单质数据库在298．15K时完全对接，对该模型的热容表达式进行修正。研究结果表明：其计算结果不仅比修正前更加符合实验数据，而且与SGTE纯单质数据库完全对接，实现了对面心立方和液态Au在温度为0～3200K时热力学性质的完整描述。
The thermodynamic properties of FCC-Au and liquid-Au at low temperatures from 0 to 298. 15 K were calculated by using Debye-Grtlneisen model. To keep the continuity of isobaric heat capacity Cp, m, enthalpy H, entropy S and Gibbs energy at 298. 15 K between SGTE database of pure elements and corrected Debye-Grtineisen model, a modifying item was added to the Cp. m formula for the model calculation. Not only can the connection of thermodynamic properties at low temperature with that at high temperatures be realized, but also the calculated results agree with the experimental data more accurately. A complete description of thermodynamic properties of FCC-Au and liquid-Au from 0 to 3 200 K is accomplished.
出处
《中南大学学报（自然科学版）》
EI
CAS
CSCD
北大核心
2006年第6期1036-1042,共7页
Journal of Central South University:Science and Technology
基金
国家自然科学基金资助项目(5027108550471058)
