Computational Simulation of Bray-Liebhafsky (BL) Oscillating Chemical Reaction

Abstract

The computational simulation of the Bray-Liebhafsky (BL) oscillating chemical reaction by differential kinetic methodology is carried out in this work. According to the mechanism of Treindl and Noyes involving 10 reaction steps, the changes of the concentrations of I 2 and O 2 in solution are simulated. When the control parameters are α = 0.55, β = 0.2882 and δ ＜ 0.6, the differential equations present periodic solution, and the oscillations can be observed in 150 min. If α , β and δ are taken as the control parameters, respectively, the bifurcation points would be observed in the processes of control parameters, changing successively with the critical values of α = 0.55，β = 0.2882， and δ = 0.6. The acidity of solution on the nonlinear phenomena is also investigated in detail.

Numerical Simulation of the Behaviors of the Bray-Liebhafsky Oscillating Chemical Reaction by a Four-variable Model

“…The simulation by mathematics is a simple and effective approach to display the character of nonlinear phenomena for a complex system. In our previous work [22], the concentrations of I 2 (aq) and O 2 (aq) were simulated by involving a two variable model. In order to investigate the BL system more detailed, a four-variable model was used, in which the concentrations I 2 (aq) and O 2 (aq), and the intermediates such as Iand HIO 2 were also calculated by mathematical calculation after proper simplification and modification of the mechanism.…”

Oscillatory System I−, H2O2, HClO4: The Modified Form of the Bray−Liebhafsky Reaction

“…Láňová et al based on their first mass spectrometric study confirmed the assumptions made in the N−T model that the escaping rate of oxygen from the solution influences the oscillations substantially and that it needs to be taken into account in the modeling of oscillations. Just recently, Ren et al have also performed computational simulation of the BL reaction based on the N−T mechanism consisting of the above 10 reaction steps and simulated the oscillations of the concentrations of I 2 and of O 2 .…”