A Method to Derive the Characteristic and Kinetic Parameters of 1,1-Bis(tert-butylperoxy)cyclohexane from DSC Measurements

Abstract

A differential scanning calorimetry (DSC) experiment was carried out to determine the thermal characteristics of harmful substances. Most experimenters only use the results of measurement and rarely conduct in-depth research on the variety of information behind the measurement. This study used Wolfram’s Mathematica as a DSC measurement research tool to plot the peak curve and derive the characteristic parameters graphically for 1,1-Bis(tert-butylperoxy)cyclohexane. The research steps included raw data cleansing, peak curve normalization, characteristic parameter derivation, and total reaction heat calculation. The kinetic parameters of individual data were derived through the Borchardt and Daniels method, and the autocatalytic model was also verified. We applied the derived characteristic parameters to simulate the peak curve through the Gaussian curve model, which can be used for estimating the peak curve of other heating rates. The derived kinetic parameters were used to observe the effects on the peak curve. The simulation can be used to plan the test results at other rates in a similar temperature range and can also be used to explore the influence of different kinetic parameters on the configuration of the shape of the peak curve and a preliminary model test of materials for materials DSC research.

Evaluation of Oxidative Stability and Kinetic Parameters of the Cottonseed and Soybean Biodiesels by Rancimat and Differential Scanning Calorimetry Techniques

“…However, most of these methodologies require many hours of experimentation and multiple tests, which makes their reproduction more complex and laborious. Thus, DSC appears as an alternative method to determine the thermal behavior of organic molecules and the kinetic parameters of exothermic reactions using a single scan at low heating rates and small specimen sizes, such as the method of Borchardt and Daniels, which is based on the relation between the degree of conversion (α) and enthalpy changes obtained by dynamic DSC analysis and is one of the simplest for modeling exothermic reactions [14][15][16][17][18]. The great advantage of this method is the rapidity of performing the analysis [15].…”