Abstract

A well-stirred reactor for phenol and acetic acid oxidation in supercritical water is considered. A mathematical model of an adiabatic reactor is formulated. A numerical algorithm for solving the model equations using the homotopy method is developed. The model takes into account specific features of processes under supercritical conditions, namely, the changes in the thermodynamic properties (enthalpy, heat capacity, and critical parameters) of mixtures with a change in pressure and temperature. The thermodynamic properties are calculated by methods of nonideal thermodynamics. It is shown that there is a multiplicity of steady-state solutions at various reactor performances. The results of numerical analysis of the effect of the inlet flow temperature, the amount of methanol (fuel) fed, and the total pressure on the reactor performance are presented.

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