二原子分子衝突モデルの構築 : 第4報, エネルギー交換モデルの改良と衝突モデルの検証

抄録

In the 3rd report, we introduced an LJ potential parameter which is based on the potential obtained from ab-initio calculation and collision cross section from the Wang-Chang Uhlenbeck and Taxmas's theory and Molecular Dynamics (MD) calculation. In this 4th paper, we improved a Dynamic Molecular Collision (DMC) model to calculate the property of MD simulation better than the former one. To make sure of its validity we calculated equilibrium state, transport coefficient (viscosity coefficient, heat conductivity) at some temperatures and normal shock wave by the DSMC method using DMC model and compared these results with other theoretical and experimental results. Consequently, we found that the diatomic rarefied gas flows could be simulated very well using our model.