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
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
References
[1] Hu D Z (胡道中), Chen S (陈实), Wang Z D (王子冬), et al. The measurement and application of hydrogen diffusion coefficient in MH electrode [J]. Acta Physico-Chimica Sinica (物理化学学报), 2006, 22 (9): 1151-1154.
[2] Ke J Y (柯佳颖), Fu Y Q (傅应强), Chen L L (陈莉莉), et al. The random walk simulation of the ions diffusion in the membrane materials of lithium-ion battery [J]. Journal of Fudan University (Natural Science) (复旦学报自然科学版), 2012, 51 (2): 251-254.
[3] Shi H B (史红兵), Yu Y X (于养信), Gao G H (高光华). Brownian dynamics simulation of self-diffusion coefficients of electrolyte solutions [J]. Chemical Journal of Chinese Universities (高等学校化学学报), 2004, 25 (12): 2317-2321.
[4] Claridge S A, Schwartz J J, Weiss P S. Electrons, photons, and force: quantitative single-molecule measurements from physics to biology [J]. ACS Nano, 2011, 5 (2): 693-729.
[5] Deniz A A, Mukhopadhyay S, Lemke E A. Single-molecule biophysics: at the interface of biology, physics and chemistry [J]. Journal of the Royal Society Interface, 2008, 5 (18):15-45.
[6] Greenleaf W J, Woodside M T, Block S M. High-resolution, single-molecule measurements of biomolecular motion [J]. Annual Review of Biophysics and Biomolecular Structure, 2007, 36: 171-190.
[7] Lee G M, Ishihara A, Jacobson K A. Direct observation of brownian-motion of lipids in a membrane [J]. Proceedings of the National Academy of Sciences of the United States of America, 1991, 88 (14): 6274-6278.
[8] Saxton M J, Jacobson K. Single-particle tracking: applications to membrane dynamics [J]. Annual Review of Biophysics and Biomolecular Structure, 1997, 26: 373-399.
[9] Takimoto B, Nabika H, Murakoshi K. Single molecular observation of hop diffusion in a lipid bilayer at metallic nanogates [J]. Journal of Physical Chemistry C, 2009, 113 (8): 3127-3132.
[10] Niehaus A M S, Vlachos D G, Edwards J S, et al. Microscopic simulation of membrane molecule diffusion on corralled membrane surfaces [J]. Biophysical Journal, 2008, 94 (5): 1551-1564.
[11] Ritchie K, Shan X Y, Kondo J, et al. Detection of non-brownian diffusion in the cell membrane in single molecule tracking [J]. Biophysical Journal, 2005, 88 (3): 2266-2277.
[12] Nabika H, Fukasawa A, Murakoshi K. Tuning the dynamics and molecular distribution of the self-spreading lipid bilayer [J]. Physical Chemistry Chemical Physics, 2008, 10 (16): 2243-2248.
[13] Nabika H, Iijima N, Takimoto B, et al. Segregation of molecules in lipid bilayer spreading through metal nanogates [J]. Analytical Chemistry, 2009, 81 (2): 699-704.
[14] Nabika H, Takimoto B, Murakoshi K. Molecular separation in the lipid bilayer medium: electrophoretic and self-spreading approaches [J]. Analytical and Bioanalytical Chemistry, 2008, 391 (7): 2497-2506.
[15] Takimoto B, Nabika H, Murakoshi K. Force applied to a single molecule at a single nanogate molecule filter [J]. Nanoscale, 2010, 2 (12): 2591-2595.
[16] Fu Y Q, Chen L L, Ke J Y, et al. Simulate the diffusion of hydrated ions by nanofiltration membrane process with random walk [J]. Molecular Simulation, 2012, 38 (6): 491-497.
[17] Murase K, Fujiwara T, Umemura Y, et al. Ultrafine membrane compartments for molecular diffusion as revealed by single molecule techniques [J]. Biophysical Journal, 2004, 86 (6): 4075-4093.