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用分子动力学模拟方法研究确定Ar－Kr溶液的自扩散系数D1、D2和互扩散系数D12以及它们随温度变化的规律．结果表明，分别用Green－Kubo法和Einstein法得到的扩散系数在数值上一致；该溶液的3种扩散系数均满足D=D0e-E/RT关系．
The self-diffusion coefficients D1, D2 and inter-diffusion coefficient D12 of Ar-Kr solution were determined by molecular dynamics simulation and their regularity with temperature. The results show that the diffusion coefficients obtained by the Green-Kubo method and the Einstein method are numerically the same. The three diffusion coefficients of the solution all satisfy the relationship D = D0e-E / RT.