Probabilistic analysis on the oxidative kinetic process of quinazoline in supercritical water

Abstract

Quinazoline is a refractory organic pollutant in wastewater treatment, its oxidative degradation reaction in supercritical water (SCW) has attracted attention. Based on the Chemical Langevin Equation for Complex Reactions (CLE-CR) proposed in recent years, this paper proposes the first stochastic kinetic model for supercritical water oxidation (SCWO) reaction of quinazoline. Y. Gong's experimental data demonstrate that the proposed model can satisfactorily fit the experimental results. The model can reasonably predict the stochastic evolution of the component concentrations in the reaction system, and provide the probability distribution information of products concentration. Additionally, the model reveals that the variability of the quinazoline initial concentration and reaction rate constants collectively lead to the random evolution of products concentration. This study provides a new perspective for understanding and predicting the kinetics of the SCWO reaction of quinazoline, offering a scientific basis for developing and designing more effective wastewater treatment strategies.