2010/06/14 by Christopher G. Jesudason, Jesudason, Christopher G.
Chemistry · Engineering · Physics and Astronomy · #65D10 #Analytical Chemistry and Chromatography #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Fault Detection and Control Systems #Mass Spectrometry Techniques and Applications #Scientific Research and Discoveries #Spectroscopy and Chemometric Analyses #Spectroscopy and Quantum Chemical Studies #msc:65D10 #physics.chem-ph #physics.comp-ph
paper · pdf · doi:10.48550/arxiv.1006.2747
8 pages, 3 figures, sending to Chem Phys Lett
arxiv created 2010/06/14 · openalex publication_date 2010/06/14 · arxiv updated 2010/06/15 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Parameter fitting of data to a proposed equation almost always consider these parameters as independent variables. Here, the method proposed optimizes an arbitrary number of variables by the minimization of a function of a single variable. Such a technique avoids problems associated with multiple minima and maxima because of the large number of parameters, and could increase the accuracy of the determination by cutting down on machine errors. An algorithm for this optimization scheme is provided and applied to the determination of the rate constant and final concentration parameters for a first order and second order chemical reaction.