Nanoparticle chain restructuring of flame soot:lattice model simulations vs. ligth scattering experiments

This theoretical and experimental work is focused on comparison between simulations and experiments investigating the restructuring process of fractal soot aggregates in hydrocarbon diffusion flames at atmospheric pressure. A Monte Carlo lattice model for restructuring is here demonstrated to predict the occurring of a restructuring event for a 3D linear chain configuration only relatively to certain numbers N’s of lattice beads, namely, of represented primary particles composing the chain aggregate. In particular, restructuring is not expected to occur either in the case of very small (N < 16) or very large lattice chains (N > 200). The mean number of primary particles per aggregate, as inferred by the scattering measurements reported in detail elsewhere (di Stasio, J.Aerosol Sci.32, 509-524, 2001), is found to correspond to those range of chain bead numbers N‘s that simulations do indicate as linear chain configurations for which is possible the morphology transitions to more compact aggregate states.