✍ Scribed by M. Luisa Marín; R. J. Zaragozá; F. F. Pérez Pla
No coin nor oath required. For personal study only.
In this article, a novel methodology for the study of complex reaction mechanisms is explored, and applied to the kinetic analysis of the hydrolysis reactions of ciclohexanecarbonitriles. The kinetic data were first analyzed with the help of classic linear techniques. Subsequently, the determination of the rate constants by a non-linear, least-squares (LS) fitting method, followed by a novel eigenvalue-eigenvector analysis of the sensitivity coefficients, permitted us to obtain the maximum possible information from the kinetic data. The non-linear, LS-fitting method, carried out by means of a new version of OPKINE program, allowed the calculation of all the rate constants of the mechanism; in addition, the sensitivity analysis permitted us to establish the uniqueness and reliability of calculated rate coefficients. Finally, the results of the sensitivity analysis were tested by means of a simulation procedure, and the results compared to those obtained from classic linear methods.
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