Numerical model for ultra-fine particles in the absence and presence of gravity

Length scales of particles and their surrounding medium strongly determines the nature of their interactions with one another and their responses to external fields. We are interested in systems of ultra-fine particles (0.1-1.0 micron) such as volcanic ash, soot from forest fires, solid aerosols, or fine powders for pharmaceutical inhalation applications. We have a developed a numerical model which captures the dominant physical interactions which control the behavior of these systems. The adhesive interactions between the particles use the Derjaguin-Muller-Toporov (DMT) adhesion theory along with the van der Waals attraction. The elastic restoring forces are modeled by the Hertz's contact model, and require details of material properties such as the Young's modulus and Poisson ratio. Commencing with a three dimensional gas of ultra-fine particles, the absence of gravity does not produce any noticeable clustering. The presence of gravity initially generates a large population of clusters with small number of particles, as the particles settle. The initial population of small clusters or single particles which have settled decrease with time as more particles, or clusters, agglomerate with one another. Our final results show clusters containing 10 to 100 particles, with a larger population of small clusters. We present details of the model, and some preliminary results which demonstrate the influence of the particle surface properties on the clustering dynamics of these systems, in the absence and presence of gravity (M. Dutt, J.A. Elliott, et al. in press).