Molecular dynamics simulations have been carried out for mixtures of Lennard-Jones fluids. Selfdiffusion coefficients and mutual diffusion coefficients have been obtained for Ar and Ar/Kr mixture.

• 采用分子动力学(MD)模拟的方法；计算了模型流体氩及氩/氪溶液的自扩散系数和互扩散系数；及其与温度的关系.