ERROR-COMPENSATED KINETIC DETERMINATIONS IN SYSTEMS OF MIXED 1ST-ORDER AND 2ND-ORDER REACTIONS, WITHOUT PRIOR KNOWLEDGE OF REACTION CONSTANTS

An algorithm for kinetic determination of substance A, by detection of the product C, produced by simultaneously first-and second-order reactions is suggested (A --> C and A + B --> C). The algorithm (based on the Levenberg-Marquardt method for nonlinear least-squares fit) is evaluated by simulating experimental data with various levels of noise. The influence of the noise level as well as the range of the rate constants, time domain of the detection of C, and other parameters are studied, and the error-compensating ability of the algorithm is demonstrated. This algorithm is suitable for a wide range of the parameters, and only a poor estimation of them is needed for convergence.