Measurement of the Kinetics and Thermodynamics of the Thermal Degradation for a Flame Retardant Polyurethane-Based Aerogel

Abstract

The current work aims to study the thermal degradation of the flame retardant polyurethane aerogel (FR_PU_aerogel) through multiple milligram-scale experimental methods. A systemic methodology for measuring the reaction kinetics and thermodynamics of the thermal degradation of FR_PU_aerogel is detailed. Specifically, the thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) were performed simultaneously in inert atmosphere to measure the mass loss and heat flow data, and a numerical framework called ThermaKin2Ds was used to inversely model these experimental data. First, a reaction mechanism with six first-order consecutive reactions was developed based on the inverse analysis of the TGA data. The corresponding reaction kinetics were optimized using the hill climbing optimization algorithm. Subsequently, the heat capacities of each condensed phase component and the heat of the reactions were obtained through inversely modeling the heat flow data. Furthermore, the heat of the complete combustion of each gaseous component were derived based on the heat release rates measured in the milligram-scale combustion calorimeter (MCC) experiments. It is noted that the developed reaction mechanism was further validated against the mass loss data obtained at different heating rates. The parameters determined in this work serve as a core subset of inputs for the pyrolysis model development, which is essential for the quantitative understanding of the ignition and the combustion behavior of solid materials.