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Direct least squares fit of chemical reaction curves and its relation to the kinetic compensation effect

1980; Volume: 19; Issue: 2 Linguagem: Inglês

10.1007/bf01915804

0368-4466

Norbert Eisenreich,

Inorganic and Organometallic Chemistry

The evaluation of kinetic parameters from chemical reaction curves implies datafitting procedures. Direct search methods are studied to minimize the Chi Square Function with respect to the activation energy and pre-exponential factor. The geometrical shape of the Chi Square Function can be related to the kinetic compensation effect as discussed in the literature. The minimization with respect to the pre-exponential factor can be solved analytically if the Chi Square Function includes integrated forms of the reaction mechanisms.