The laminar flow tubular reactor with homogeneous and heterogeneous reactions II. Application to reactor modeling involving free radical reactions

The simulation of the complex polychlorination of methane in a non-isothermal photoreactor with laminar flow regime shows the usefulness of the integral equations deduced in Part I of this contribution. Improved iterative schemes for numerical solution have been implemented by using the particular equations proposed for species having slow, very fast and instantaneous reaction regimes. From such integral equations, in a mathematically consistent form, deviations in the fields of predicted concentrations with and without the application of the local steady-state approximation for homogeneous reactions involving atomic and free radical species have been obtained. Similarly the fields of predicted concentrations applying the usual assumption of negligible wall reactions for the same highly reactive intermediate species has been compared with the reaction mechanisms that includes the wall reactions. A comprehensive analysis of the validity of these simplifying assumptions is presented.