Modeling of the Oxidation of Organic Compounds in Supercritical Water

摘要

A system for oxidation of organic impurities in supercritical water is proposed. Models are formulated and calculations are performed to determine the characteristics of the main apparatuses of the system, namely, heat exchangers, a chemical reactor, and a separator. The models take into account specific features of processes under supercritical conditions, specifically, the changes in the thermodynamic properties (enthalpy, specific heat, critical parameters) of the reaction mixtures with changes in pressure and temperature, and also the variations of the compositions of the mixtures along the lengths of the apparatuses. The thermodynamic properties are calculated by methods of nonequilibrium thermodynamics. A numerical analysis is performed of one of the variants of a system for acetic acid oxidation by oxygen in supercritical water, which can be a prototype of a pilot plant. The fuel is chosen to be an aqueous methanol solution, and the oxidant is taken to be hydrogen peroxide. Replacement of the reactant, the fuel, or the oxidant does not fundamentally change the methods for calculating the characteristics of the apparatuses and the entire system.