Simulation study of the chlorine dioxide–iodine–malonic acid oscillation reaction

The chlorine dioxide–iodine–malonic acid oscillating reaction is simulated by dynamic analysis software. The oscillation is watched for the concentration changes of triiodide ion, iodide ion, chlorite ion, and hydrogen ion. The initial concentration of malonic acid, chlorine dioxide, iodine, and pH value has certain effects on the oscillation. The amplitude and the number of oscillations is related to the initial concentration. The mathematical equation of reaction rate of triiodide ion, iodide ion, chlorite ion, and hydrogen ion varying with reaction time and the initial concentrations was got. The bifurcation curved surface between oscillatory and non-oscillatory phenomenon varying with pH values was got. The oscillatory ingredients lie below the surface. The spatial zone to arise oscillation phenomenon is reducing with the increase of pH value. The limits of oscillation with the initial concentrations of chlorine dioxide, iodine, and malonic acid is well represented by an equation. In the three-variable of [MA]o, [I2]o, and [ClO2]o, there is no lower and higher limited value on [MA]o for oscillation phenomenon at various pH value. On the other hand, there is higher limited value on [I2]o and [ClO2]o for oscillation phenomenon at various pH value. The initial concentrations of ClO2 and I2 for oscillation are decreasing with the increase of pH value.