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用蒙特卡罗方法模拟了易挥发化合物的气相色谱微观动力学行为,描述了化合物随气流在固体色谱柱表面的迁移以及吸附-解吸等过程。按气相色谱微观动力学模型编译的计算机程序模拟了超重元素化合物在等温色谱及热色谱的动力学过程,并根据不同实验条件进行了大量计算。计算结果与实验数据较为吻合。讨论了超重元素的半衰期、吸附态的周期、载气流量以及化合物的质量密度等对实验结果的影响及该理论模型的优点和待改进的地方。
The microcosmic gas chromatographic behavior of volatile compounds was simulated by Monte Carlo method. The migration of the compound with gas flow on the surface of solid column and the adsorption-desorption processes were described. The computer program compiled by gas chromatographic micro-kinetic model simulates the kinetic process of the over-weight elemental compounds in isothermal and thermochromatography, and carries out a large number of calculations according to different experimental conditions. The calculated results are in good agreement with the experimental data. The influence of the half-life of super-heavy elements, the period of adsorbed states, the carrier gas flow rate and the mass density of the compounds on the experimental results are discussed. The advantages of the theoretical model and the areas to be improved are discussed.