摘要
基于解析平均场(AMFP)方法将双指数(DE)势应用于Rb4C60固体,对其在高温高压下的热力学性质进行研究.通过拟合固态Rb4C60在室温(296 K)下压强至5.2 GPa时的压缩实验数据得到一套势参数,计算得到的压缩曲线与实验结果非常一致,并在宽广温度和压强范围内,对Rb4C60的各种物理量,包括等温、热膨胀、等容热容量、亥姆霍兹自由能和内能进行了计算和分析.
The thermodynamic properties of Rb4C60 at high temperature and high pressure are investigated based on the analytic mean field potential （AMFP） approach with the double-exponential （DE） potential. A set of potential parameters are determined by fitting the experimental compression data of Rb4 C60 up to 5.2 GPa at ambient temperature （296 K）.The compression curves obtained by the calculation agree well with the available experimental data. Various physical quantities including isothermals, thermal expansion, isochoric heat capacity, Helmholtz free energy and internal energy are calculated and analyzed.
出处
《成都大学学报（自然科学版）》
2013年第3期250-253,共4页
Journal of Chengdu University（Natural Science Edition）
基金
四川省教育厅科研课题(11ZA298)
成都大学校科技基金(2011XJZ07)资助项目
