Numerical Simulation of Coupled Pyrolysis and Combustion Reactions with Directly Measured Fire Properties.

In this study, numerical simulations of coupled solid-phase reactions (pyrolysis) and gas-phase reaction (combustion) were conducted. During a fire, both charring and non-charring materials undergo a pyrolysis as well as a combustion reaction. A three-dimensional computational fluid dynamics (CFD)-based fire model (Fire Dynamics Simulator, FDS version 6.2) was used for simulating the PMMA (non-charring), pine (charring), wool (charring) and cotton (charring) flaming fire experiments conducted with a cone calorimeter at 50 and 30 kW/m irradiance. The inputs of chemical kinetics and the heat of reaction were obtained from sample mass change and enthalpy data in TGA and differential scanning calorimetry (DSC) tests and the flammability parameters were obtained from cone calorimeter experiments. An iso-conversional analytical model was used to obtain the kinetic triplet of the above materials. The thermal properties related to heat transfer were also mostly obtained in house. All these directly measured fire properties were inputted to FDS in order to model the coupled pyrolysis-combustion reactions to obtain the heat release rate (HRR) or mass loss. The comparison of the results from the simulations of non-prescribed fires show that experimental HRR or mass loss curve can be reasonably predicted if input parameters are directly measured and appropriately used. Some guidance to the optimization and inverse analysis technique to generate fire properties is provided.