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Random Walk Simulation on Dynamics Behaviors of Molecules in Gas Chromatography

GUO Yan;FU Ying-qiang;ZHAO Jian-wei;Collaborative Innovation Center of Atmospheric Environment and Equipment Technology,School of Environmental Science and Engineering,Nanjing University of Information Science & Technology;State Key laboratory of Analytical Chemistry for Life Science,School of Chemistry & Chemical Engineering,Nanjing University;  
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.
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