基于反转法的CO_2-O_2混合物导热系数预测

Determination of Thermal Conductivity of CO_2-O_2 Mixtures by Inversion Method

采用反转法获得了CO_2-O_2的新势能,通过迭代计算提高了势能精度,在此基础上,给出了新势能的碰撞积分和特征参数。利用新的势能参数,根据分子动力学理论与WCUB理论,预测了CO_2-O_2混合气体零密度时的导热系数,计算的温度范围为273.15～3273.15 K,结果与实验数据的绝对平均偏差和最大偏差分别为3.87%和4.53%,为相关领域的科学研究和实际应用提供了准确的基础数据。

The pair potential energy function of CO_2-O_2 mixtures has been determined by inversion method.According to the kinetic theory and the WCUB theory,thermal conductivity of CO_2-O_2 mixtures was presented using the potential energy obtained from inversion method in temperatures from 273.15 K to 3273.15 K at zero-density,and the maximum absolute deviation and the average absolute deviation between the results of this work and the experimental data in the literature were 4.53%and 3.87%,respectively.