LAPSE:2020.0545
Published Article
LAPSE:2020.0545
Study on the Formation of Complex Chemical Waveforms by Different Computational Methods
Jiali Ai, Chi Zhai, Wei Sun
June 3, 2020
Chemical wave is a special phenomenon that presents periodic patterns in space-time domain, and the Belousov−Zhabotinsky (B-Z) reaction is the first well-known reaction-diffusion system that exhibits organized patterns out of a homogeneous environment. In this paper, the B-Z reaction kinetics is described by the Oregonator model, and formation and evolution of chemical waves are simulated based on this model. Two different simulation methods, partial differential equations (PDEs) and cellular automata (CA) are implemented to simulate the formation of chemical waveform patterns, i.e., target wave and spiral wave on a two-dimensional plane. For the PDEs method, reaction caused changes of molecules at different location are considered, as well as diffusion driven by local concentration difference. Specifically, a PDE model of the B-Z reaction is first established based on the B-Z reaction kinetics and mass transfer theory, and it is solved by a nine-point finite difference (FD) method to simulate the formation of chemical waves. The CA method is based on system theory, and interaction relations with the cells nearest neighbors are mainly concerned. By comparing these two different simulation strategies, mechanisms that cause the formation of complex chemical waves are explored, which provides a reference for the subsequent research on complex systems.
Keywords
Belousov–Zhabotinsky reaction, cellular automata, finite difference, partial differential equations
Suggested Citation
Ai J, Zhai C, Sun W. Study on the Formation of Complex Chemical Waveforms by Different Computational Methods. (2020). LAPSE:2020.0545
Author Affiliations
Ai J: College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China
Zhai C: Faculty of Chemical Engineering, Kunming University of Science and Technology, Kunming 650500, China [ORCID]
Sun W: College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China [ORCID]
Journal Name
Processes
Volume
8
Issue
4
Article Number
E393
Year
2020
Publication Date
2020-03-27
Published Version
ISSN
2227-9717
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Original Submission
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PII: pr8040393, Publication Type: Journal Article
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LAPSE:2020.0545
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doi:10.3390/pr8040393
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Jun 3, 2020
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Original Submitter
Calvin Tsay
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