Incorporation of complex reaction sequences in engineering models of electrolytic cells: I. Paired synthesis of propylene oxide in an undivided cell

A reaction sequence involving 11 chemical species was incorporated into a mathematical model of an electrolytic cell consisting of an undivided parallel-plate reactor operating under steady, continuous flow conditions. The set of coupled, nonlinear, stiff differential equations was solved numerically by dynamic simulation. The technique was applied to the paired synthesis of propylene oxide from propylene-saturated bromide electrolyte. For this system, the eigenvalues associated with the Jacobian ranged over ten orders of magnitude. The effect of pH, [Br^-], mass transfer, space time, and current density were explored to understand their influence on yield, selectivity, conversion, current efficiency, and cell voltage.