Molecular simulation is used to calculate the diffusioncoefficient of thiophene and n-heptane in PEG membrane.
并通过分子模拟方法模拟了噻吩和正庚烷在PEG膜中的扩散系数。
2
It was found that the interactions between ethene molecules increase with the increasing of molecular concentration, while molecular total self-diffusioncoefficient decreases with the concentration.