宽广温度压强下Rb_xC₆₀ (x = 3,4,6)的热力学性质

Thermodynamic Properties of Rb_xC₆₀ (x = 3,4,6) at Wide Temperature and Pressure

摘要: 本文基于自由体积理论(FVT)应用解析平均场近似的方法对Rb_xC₆₀ (x = 3,4,6)的热力学性质进行研究。根据双指数势模型和文献中的压缩实验数据，拟合得到三套势参数，并对相应的势函数曲线进行了比较分析。在宽广温度和压强下对三种碱金属掺杂富勒烯Rb_xC₆₀ (x = 3,4,6)的热力学量，包括热膨胀、体积模量、等容热容量、亥姆霍兹自由能进行了计算和分析。我们采用的方法不仅计算简单而且结果与文献中实验数据非常一致。

Abstract: Based on the free volume theory (FVT), the thermodynamic properties of Rb_xC₆₀ (x = 3,4,6) are studied by means of analytic mean field approximation. According to the double exponential po-tential model and the compression experimental data in the literature, three sets of potential pa-rameters are obtained, and the corresponding potential function curves are compared and ana-lyzed. The thermodynamic properties of three alkali metal doped fullerene Rb_xC₆₀ (x = 3,4,6), in-cluding thermal expansion, bulk modulus, constant volume heat capacity and Helmholtz free en-ergy, were calculated and analyzed under wide temperature and pressure. Our method is not only simple in calculation, but also in good agreement with the experimental data in the literature.