Numerical Simulation of Decomposition of Polymer Nano-composites: Investigation of the Influence of the Char Structure

In recent years, nano-particles such as nano-clays, carbon nanotubes and graphenes have been extensively used in flame-retardant polymeric materials. The surface char layer formed in combustion acts as protective barriers that limit the heat transfer into the unpyrolysed polymer and volatilization of combustible degradation products and diffusion of oxygen into the material. A numerical simulation tool Thermakin is used to simulate the thermal decomposition of the neat polymers (polypropylene (PP), Acrylonitrile Butadiene Styrene (ABS)) and corresponding nano-composites (PP/multi-walled carbon nanotube (PP/MWCNT) and ABS/ graphene nano-sheets /NiFe-layered double hydroxide hybrid (ABS/GNS-LDH) in cone calorimetry experiments. PP/MWCNT forms a porous network while ABS/GNS-LDH forms a compact, dense char layer during combustion. With appropriate input parameters, the heat release rates (or mass loss rates) are predicted very well. Finally, the effect of input parameters on model outputs are discussed.