采用反转法计算得到了O2-CO2混合气体新的势能参数.在此基础上,根据分子动力学理论,计算了混合气体在零密度下的输运性质,包括黏度系数、热扩散系数和热扩散因子,计算的温度范围为273.15—3273.15K.与实验值比较表明,计算结果可以满足实际工程应用。
A new potential energy surface of O2-CO2 mixtures was obtained by means of inversion method.According to the kinetic theory of gas,the transport properties of O2-CO2 mixtures,including viscosity coefficient,thermal diffusion coefficient and thermal diffusion factor,were caluclated in the temperature range between 273.15 K and 3273.15 K at zero-density.