Citation: GUO Yan, FU Ying-Qiang, SUN Yin-Lu, CHEN Tian-Nan, ZHAO Jian-Wei. Theoretical Simulation on the Chromatographic System Based on the Random Diffusion of the Separating Particles[J]. Acta Physico-Chimica Sinica doi: 10.3866/PKU.WHXB201209141 shu

Theoretical Simulation on the Chromatographic System Based on the Random Diffusion of the Separating Particles

1.
1 Key laboratory of Atmospheric Environment Monitoring and Pollution Control of Jiangsu Province, School of Environmental Science and Engineering, Nanjing University of Information Science & Technology, Nanjing 210044, P. R. China;
2 State Key laboratory of Analytical Chemistry for Life Science, School of Chemistry & Chemical Engineering, Nanjing University, Nanjing 210093, P. R. China

Received Date: 16 July 2012
Available Online: 14 September 2012
Fund Project: 国家自然科学基金(51071084, 21273113, 21205062) (51071084, 21273113, 21205062)江苏省高校自然科学基金(10KJB150010) (10KJB150010)南京大学生命分析化学国家重点实验室开放基金(KLACLS1009)资助项目 (KLACLS1009)

In order to dynamically track the trajectory of diffusing molecules in a chromatography system, and to thoroughly understand its influence on chromatographic dynamics, we have developed software based on the framework of random walks in a confined space, with which the diffusion processes have been simulated. The influence of the filling rates, the form of the stationary phase, and the column length of a packed column on the chromatographic dynamics have been discussed based on these simulation results. It was concluded that shorter column lengths and larger filling rates result in a higher column efficiency. The particles to be separated normally show basic diffusion characteristics in the confined space. However, their flow behavior will increase with increasing external pressure. The simulation results indicate that the influence of the filling rate of the stationary phase and the column length on chromatographic dynamic behavior is similar to those seen in experiment, whereas the form of the stationary phase only has a slight effect because of the same close-packed barrier arrangement. This simulation method we proposed has some significance for the development of high-performance chromatography and novel separation technologies.
- Random walks,
- Chromatography,
- Simulation,
- Molecular diffusion,
- Stationary phase,
- Column length
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