CAJ | 학술논문

根据Ross变分微扰理论以及硬球流体Percus-Yevick(PY) 径向分布函数表达式,建立了广义Morse 势流体的解析状态方程.与模拟结果的比较一方面证实了广义Morse 势模型的合理性;另一方面表明了解析Ross变分微扰理论的精度相当或略好于非解析的Weeks-Chandler-Anderson(mWCA)理论,而优于复杂的优化超网络链积分方程理论(RHNC).该解析状态方程被应用于拟合处于环境温度和压强小于1GPa情形流体氮的实验数据, 所得到的势能参数被用于预测高温高密度情形氮流体的压强,预测结果证实,该解析状态方程可以很好地适用于较宽的压强和温度范围.
근거Ross변분미우이론이급경구류체Percus-Yevick(PY) 경향분포함수표체식,건립료엄의Morse 세류체적해석상태방정.여모의결과적비교일방면증실료엄의Morse 세모형적합이성;령일방면표명료해석Ross변분미우이론적정도상당혹략호우비해석적Weeks-Chandler-Anderson(mWCA)이론,이우우복잡적우화초망락련적분방정이론(RHNC).해해석상태방정피응용우의합처우배경온도화압강소우1GPa정형류체담적실험수거, 소득도적세능삼수피용우예측고온고밀도정형담류체적압강,예측결과증실,해해석상태방정가이흔호지괄용우교관적압강화온도범위.
The analytic expressions for equation of state (EOS) and thermodynamic properties have been derived for the generalized Morse (GM) potential fluids,by using the Ross variational perturbation theory and the analytic Percus-Yevick (PY) expression of radial distribution function of hard spheres.Extensive comparison of the numerical results with computer simulations shows that the precision of the analytic Ross theory is equivalent to or slightly better than the non-analytic modified Weeks-Chandler-Anderson (mWCA) theory,and is much better than the complicated optimized reference hyper-netted chain (RHNC) theory.This analytic expressions for equation of state have been applied to N2 fluid at ambient temperature and low pressure (below 1GPa) with the parameters of the generalized Morse potential are obtained by fitting to experimental data,results of prediction of the pressure above 1GPa validate the analytic EOS with good agreement within a wide range of pressure and temperature.