Optimization of a kinetic-catalytic method by use of a numerical model and the simplex method

Optimization of a kinetic-catalytic method based on a numerical model is demonstrated for the copper(II)-catalyzed decomposition of hydrogen peroxide in the presence of pyridine. The responses are calculated as initial rates of the catalytic reaction after calculating the equilibrium distributions of all species in the reaction mixture. Simulation of response surfaces as well as simplexes showed optimal concentrations for hydrogen peroxide, pyridine and pH. Experimental verifications of the simulated reaction conditions showed that the catalytic determination of copper down to 1.5 x 10^-7 M is possible.