标题:
Rb6C60的解析状态方程及热力学性质
Analytic Equation of State and Thermodynamic Properties of Rb6C60
作者:
杨维
关键字:
状态方程, 热力学性质, Rb6C60, 解析平均场方法
Equation of State; Thermodynamic Properties; Rb6C60; AMFP
期刊名称:
《Applied Physics》, Vol.3 No.5, 2013-07-01
摘要:
解析平均场(AMFP)方法用于多指数型固体，双指数型固体作为一种特殊情况包含于其中。推导了状态方程和热物理量的解析表达式，并把所得到的公式用于固体Rb6C60的热力学性质研究。通过拟合固态Rb6C60在室温296 K压强至22 GPa的压缩实验数据得到了一套势参数。在宽广温度和压强范围内对Rb6C60的各种物理量，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。我们的理论结果与其它的计算结果和有用的实验数据非常一致。AMFP方法能很好的考虑Rb6C60 在高温时的非谐性效应。The analytic mean field potential (AMFP) approach is applied to the multiple-exponential potential solid, and the double-exponential (DE) potential is included in as a special case. The analytic equation of state and thermodynamic properties are derived and applied to Rb6C60 solid. One set of potential parameters are determined by fitting the experimental compression data of Rb6C60 up to 22 GPa at ambient temperature (296 K). Various physical quantities including the thermal expansion, bulk modulus, isochoric heat capacity, Helmholtz free energy are calculated and analyzed. The theoretical results are consistent with the available experimental data and those calculated by others. The AMFP method is a useful approach to consider the anharmonic effect of Rb6C60 at high temperature.