A New Random Walk Simulation Model for Study of Diffusion Behavior of Single Particle Within Two-Dimensional Space

Authors

Jianwei Zhao, State Key Lab of A nalytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210008, China;Follow
Lili Chen, State Key Lab of A nalytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210008, China;
Yingqiang Fu, State Key Lab of A nalytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210008, China;
Shaohong Li, State Key Lab of A nalytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210008, China;
Tiannan Chen, State Key Lab of A nalytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210008, China;
Shijie Zhang, State Key Lab of A nalytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210008, China;

Corresponding Author

Jianwei Zhao(zhaojw@nju.edu.cn)

Abstract

Research on diffusion behaviors is of significant value in that it is closely related to transport phenomena in micro-chemistry. However, the effects of variables on diffusion are still unclear. Here, we developed and programmed a simulation methodology along with data analysis, which was capable to simulate the diffusion of a particle within twodimensional heterogeneous space in large timescale; the effects of periodically arranged impenetrable barriers of specific shape and lateral drifting velocity on diffusion behavior were studied. As well as standard mean square displacement analysis, a new method, the appearance probability distribution method, was introduced, which revealed whether the particle tended to be present at certain positions. This article introduced the construction of the simulation model and demonstrated the validity of the model. The results showed that our model fit qualitatively well with experiments and theories. The model was proved to be an excellent potential platform for simulating the diffusion behaviors in micro-chemistry, such as the diffusion process in electrochemistry as well as nanofiltration membrane.

Graphical Abstract

Keywords

diffusion, random walk, simulation, mean square displacement, appearance probability distribution

DOI Link

https://doi.org/10.61558/2993-074X.2613

Publication Date

2012-10-28

Online Available Date

2012-10-20

Revised Date

2012-10-19

Received Date

2012-09-13

Recommended Citation

Jianwei Zhao, Lili Chen, Yingqiang Fu, Shaohong Li, Tiannan Chen, Shijie Zhang. A New Random Walk Simulation Model for Study of Diffusion Behavior of Single Particle Within Two-Dimensional Space[J]. Journal of Electrochemistry, 2012 , 18(5): Article 5.
DOI: 10.61558/2993-074X.2613
Available at: https://jelectrochem.xmu.edu.cn/journal/vol18/iss5/5