caa a22 4500 463191765 CHVBK 20180406164911.0 cr unu---uuuuu 170326e20070801xx s 000 0 eng 10.1007/s10973-006-8486-1 doi (NATIONALLICENCE)springer-10.1007/s10973-006-8486-1 A comparison of isoconversional and model-fitting approaches to kinetic parameter estimation and application predictions [Elektronische Daten] [A. Burnham, L. Dinh] A variety of isoconversional and model fitting approaches, all of which use multiple heating schedules, are used to analyze selected data from the ICTAC kinetics and lifetime projects as well as additional simulated data sets created for this work. The objective is to compare the accuracy and suitability of various approaches for various types of chemical reactions. The various simulated data sets show that model fitting and isoconversional methods have comparable reliability for extrapolation outside the range of calibration. First, there is as much variability in prediction for various isoconversional methods as there is between isoconversional methods as a group and different plausible explicit models. Of the three isoconversional models investigated, the Friedman method is usually the most accurate. This is particularly true for energetic materials that have a drop in apparent activation energy in the latter stages of reaction, which leads to a delayed onset of rapid autocatalysis at lower temperatures. It is difficult to determine a priori whether isoconversional or model fitting approaches will give more accurate predictions. The greatest reliability is attained by using both the isoconversional and model fitting approaches on a combination of isothermal and constant heating rate data. Springer Science+Business Media LLC, 2007 ICTAC nationallicence isoconversional kinetics nationallicence kinetic models nationallicence model fitting nationallicence Burnham A. Lawrence Livermore National Laboratory, P. O. Box 808, 94551, Livermore, CA, USA aut Dinh L. Lawrence Livermore National Laboratory, P. O. Box 808, 94551, Livermore, CA, USA aut Journal of Thermal Analysis and Calorimetry Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 89/2(2007-08-01), 479-490 1388-6150 89:2<479 2007 89 10973 https://doi.org/10.1007/s10973-006-8486-1 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10973-006-8486-1 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Burnham A. Lawrence Livermore National Laboratory, P. O. Box 808, 94551, Livermore, CA, USA aut NATIONALLICENCE 700 1- Dinh L. Lawrence Livermore National Laboratory, P. O. Box 808, 94551, Livermore, CA, USA aut NATIONALLICENCE 773 0- Journal of Thermal Analysis and Calorimetry Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 89/2(2007-08-01), 479-490 1388-6150 89:2<479 2007 89 10973 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer