Fire-safe materials by pyrolysis modelling

This research aims at improving the fire safety of bio-based materials by detailed computational analyses of their thermal degradation processes. The formation of volatile and solid decomposition products will be examined using Reactive Molecular Dynamics simulations in order to explain and optimize the use of chemical fire retardants. The formation of char fissures and means to avoid them will be studied using Material Point Method simulations. The purpose is to improve the natural fire resistance of charring materials. Finally, we will derive continuum-scale (CFD+pyrolysis) model parameters from the lower level models to apply the results in engineering calculations.