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Oscillatory kinetics in electrocatalysis: modeling and numerical simulations

Grant number: 07/04522-0
Support type:Scholarships in Brazil - Doctorate
Effective date (Start): October 01, 2007
Effective date (End): May 31, 2011
Field of knowledge:Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
Principal Investigator:Hamilton Brandão Varela de Albuquerque
Grantee:Melke Augusto do Nascimento
Home Institution: Instituto de Química de São Carlos (IQSC). Universidade de São Paulo (USP). São Carlos , SP, Brazil


The study of spatiotemporal pattern formation in reaction-transport systems has becoming a very active research area. Complex behavior in these systems occurs under far from equilibrium conditions and results of the interaction between the temporal nonlinear dynamics and transport properties. Given some properties of lateral information exchange and the easiness of global control, reaction-migration systems taking place at the slid/liquid interface are considered interesting model-systems. It is proposed in this project the modeling and to perform numerical simulations of the current and potential oscillations present in some electrooxidation reactions of small organic molecules. The model to be used in the study of the point-like system consists basically of three ordinary differential equations. The bifurcation diagrams as a function of the adjustable parameters and its respective time series will be investigated. In the second step, the model will be expanded to one and two spatial dimensions, by means of the pseudo-spectral method for resolution of the partial differential equations.

Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
NASCIMENTO, MELKE A.; GALLAS, JASON A. C.; VARELA, HAMILTON. Self-organized distribution of periodicity and chaos in an electrochemical oscillator. Physical Chemistry Chemical Physics, v. 13, n. 2, p. 441-446, 2011. Web of Science Citations: 33.
SITTA, ELTON; NASCIMENTO, MELKE A.; VARELA, HAMILTON. Complex kinetics, high frequency oscillations and temperature compensation in the electro-oxidation of ethylene glycol on platinum. Physical Chemistry Chemical Physics, v. 12, n. 46, p. 15195-15206, DEC 2010. Web of Science Citations: 32.
SAUERBREI, S.; NASCIMENTO, M. A.; EISWIRTH, M.; VARELA, H. Mechanism and model of the oscillatory electro-oxidation of methanol. Journal of Chemical Physics, v. 132, n. 15 APR 21 2010. Web of Science Citations: 10.
Academic Publications
(References retrieved automatically from State of São Paulo Research Institutions)
NASCIMENTO, Melke Augusto do. Instabilidades cinéticas em sistemas eletroquímicos: uma contribuição teórica. 2011. Doctoral Thesis - Universidade de São Paulo (USP). Instituto de Química de São Carlos São Carlos.

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