面心立方和液态Au的热力学性质

来源期刊：中南大学学报(自然科学版)2006年第6期

论文作者：陶辉锦 谢佑卿 彭红建 余方新 刘锐锋 李晓波 聂耀庄

文章页码：1036 - 1042

关键词：Au;热力学性质; SGTE纯单质数据库; Debye-Grüneisen模型

Key words：Au; thermodynamic property; SGTE database of pure element; Debye-Grüneisen model

摘    要：运用Debye-Grüneisen模型研究纯金属Au在温度为0~298.15 K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298.15 K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0~3 200 K时热力学性质的完整描述。

Abstract: The thermodynamic properties of FCC-Au and liquid-Au at low temperatures from 0 to 298.15 K were calculated by using Debye-Grüneisen model. To keep the continuity of is obaric heat capacityCp, m, enthalpyH, entropySand Gibbs energy at 298.15 K between SGTE database of pure elements and corrected Debye-Grüneisen model, a modifying item was added to the Cp, mformula 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.