Molecular simulation is used to calculate the diffusion coefficient 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。
It was found that the interactions between ethene molecules increase with the increasing of molecular concentration, while molecular total self-diffusion coefficient decreases with the concentration.
研究发现随着乙烯分子浓度的增加，被吸附的乙烯分子之间相互作用能随之增加，而乙烯分子的总扩散系数随浓度增加而单调递减。
It was found that the interactions between ethene molecules increase with the increasing of molecular concentration, while molecular total self-diffusion coefficient decreases with the concentration.
研究发现随着乙烯分子浓度的增加，被吸附的乙烯分子之间相互作用能随之增加，而乙烯分子的总扩散系数随浓度增加而单调递减。
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