Algorithm for error-compensated kinetic determinations without prior knowledge of reaction order or rate constant

✍ Scribed by Jan.A. Larsson; Harry L. Pardue

• Book ID: 104100787
• Publisher: Elsevier Science
• Year: 1989
• Tongue: English
• Weight: 905 KB
• Volume: 224
• Category: Article
• ISSN: 0003-2670
• DOI: 10.1016/s0003-2670(00)86566-6

✦ Synopsis

The development and evaluation of a new algorithm for error-compensating predictive kinetic determinations are described. With the new algorithm it is possible to fit kinetic data without prior knowledge of the rate constant, reaction order or initial and final values of the detector signal. A curve-fitting method is used to obtain values of these parameters that give the best fit of the model to the data. Although intended to be used primarily to compute signal changes between t=O and co, the method can also be used to determine reaction orders. Although the algorithm fails for reaction orders of zero and unity, it works well for orders between these values and orders greater than unity. Simulated data are used to evaluate the effects of reaction order, signal noise and data range on computed values of signal change and, to a lesser extent, reaction order.