Numerical simulation of the kinetics of ozone decomposition in an aqueous solution

Abstract

The kinetic scheme for ozone decomposition in an aqueous solution in a wide pH interval was proposed on the basis of the known literature data. The apparent first order rate constant for ozone decomposition at pH 1-14 was calculated.

Theoretical estimation of the apparent rate constants for ozone decomposition in gas and aqueous phases using ab initio calculations

“…A plausible mechanism was developed based on the reactions involved in the ozone decomposition in the water phase and was reported in the available literature . The following reactions are considered in the model:…”

“…On the other hand, reactions of the hydroxyl radical, an ozone decomposition by‐product, in water are non‐selective, resulting in faster reaction rates and thus, rapid degradation of compounds . The mechanism of ozone decomposition in aqueous phase includes a chain of reactions yielding highly reactive radicals . The efficiency of an ozone‐based wastewater treatment depends on ozone concentration and is linked to its rate of decomposition .…”

Mathematical simulation as a method to study the influence of oxygen, hydrogen peroxide, and phosphate and carbonate ions on the kinetics of ozone decomposition in aqueous solution

“…We performed the mathematical simulation of ozone decomposition under the experimental conditions 2 using the kinetic scheme. 1 The results of simulation and experimental data 2 are compared in Fig. 1.…”

“…Experimental 2(1)(2)(3) and theoretical (1´-3´) plots of the rate constant for ozone decomposition vs concentration of dis solved oxygen at pH 2. Ozone concentration in solution, mol L -1 : 9•10 -5 (1´), 2•10 -4 (2´), and 3.7•10 -4 (3´).…”

“…8that the model considered in the present article also predicts a similar behavior.The earlier work 5 presents the approximate equation describing the concentration of ozone during its decom position as a function of reaction time. Experimental 11 (1) and theoretical (2) kinetic curves of ozone decomposition in the presence of carbonate ions and hydrogen peroxide; [Experimental 11(1) and theoretical…”