Embedded-Error Bayesian Calibration of Thermal Decomposition of Organic Materials

Abstract

Abstract Organic materials are an attractive choice for structural components due to their light weight and versatility. However, because they decompose at low temperatures relative to traditional materials, they pose a safety risk due to fire and loss of structural integrity. To quantify this risk, analysts use chemical kinetics models to describe the material pyrolysis and oxidation using thermogravimetric analysis (TGA). This process requires the calibration of many model parameters to closely match experimental data. Previous efforts in this field have largely been limited to finding a single best-fit set of parameters even though the experimental data may be very noisy. Furthermore, the chemical kinetics models are often simplified representations of the true decomposition process. The simplification induces model-form errors that the fitting process cannot capture. In this work, we propose a methodology for calibrating decomposition models to TGA data that accounts for uncertainty in the model-form and experimental data simultaneously. The methodology is applied to the decomposition of a carbon fiber epoxy composite with a three-stage reaction network and Arrhenius kinetics. The results show a good overlap between the model predictions and TGA data. Uncertainty bounds capture deviations of the model from the data. The calibrated parameter distributions are also presented. The distributions may be used in forward propagation of uncertainty in models that leverage this material.