结合粘度理论建立了分子扩散系数与活化能之间的关系；
Combined with the theory of viscosity, the relationship between diffusion coefficient and activation energy is expressed.
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。
Molecular simulation is used to calculate the diffusion coefficient of thiophene and n-heptane in PEG membrane.
模拟获得的径向分布函数和扩散系数的值与实验基本吻合，分子间作用能分布也与文献报道的趋势一致。
The simulated radial distribution function and diffusion coefficient also accord with experiment basically. Rather, the pair distribution function is consistent with the literature reported.
温度增加，分子的扩散系数随着增加，使镭源释放的氡量增加，导致氡浓度变大；
The diffusion coefficient of the molecule increases with temperature increasing, which makes radon released from radium source increase and causes radon concentration to increase;
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.
然后对JP-10，四环庚烷进行分子动力学模拟，计算了燃料的密度、扩散系数、内聚能密度、冰点及粘度，模拟结果与文献值基本相符。
After that the density, diffusion coefficient, cohesive energy density, freezing point and viscosity of JP-10 and quadricyclane were simulated. The results show good agreements with literature data.
结果显示，随着水蒸气活度的增加，膜内水分子簇尺寸增大，并在膜的微孔内产生多层吸附甚至毛细管冷凝，导致扩散系数迅速降低。
With the increase of mean cluster size(MCS)at different water activities, multi-layer sorption and capillary condensation occur, which lead to the diminution of diffusion coefficients in P…
建立了应用迎头色谱技术测量分子筛中扩散系数的方法。本文详细讨论了处理迎头曲线的简化模型。
The frontal gas chromatographic method is established for measuring the diffusivity in zeolite molecular sieves, Report 1 gives the simplified models for analyzing the breakthrough curves.
烃分子的吸附平衡常数随温度的升高而降低，而扩散系数随温度的升高而增大。
The adsorption equilibrium constants decreased with the temperature, while the diffusivity increased with temperature.
烃分子的吸附平衡常数随温度的升高而降低，而扩散系数随温度的升高而增大。
The adsorption equilibrium constants decreased with the temperature, while the diffusivity increased with temperature.
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