中文摘要：

本文应用随机行走这一理论模型对气相填充柱色谱进行了研究。随机行走的处理方式是重点关注分子的运动行为,而忽略掉那些与色谱动力学关系较小的因素。模拟结果表明,在低温时分子的自主运动是扩散行为,当温度升高分子则带有了明显的流动行为。在此基础之上,对温度和压力这些影响分子运动行为的外部因素也进行了考察。同时进行了相对应的气相色谱实验,模拟得出了和实际实验相一致的结果。由于实际实验操作条件的限制,模拟结果给出了一个更宽泛的应用区间。

英文摘要：

In an attempt to elucidate the influence factors on chromatographic dynamics in gas chromatography on the molecular level,a theoretical model based on the random walk were carried out to investigate changes in dynamics related factors.In this model,we paid more attention to the molecular diffusion behavior,and those details less correlated to the chromatographic dynamics were omitted.The simulation results indicated that the molecules showed diffusion behaviors at lower temperature in such a confined space,and they had obvious flow behaviors with higher temperature.Two important parameters,the pressure and the temperature,which influenced the diffusion behavior were studied.Their influences were also considered by comparative chromatographic experiment.Consistent results between the simulation and experiment were obtained.However,the simulation results showed a broader application range due to the limitation of actual experimental operation conditions.Our simulation method has certain significance for the selection of operating conditions and developing high-performance chromatography.