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Project abstract for group hogancj
Nanoparticle Gas Phase Chemical Physics
Nanoparticle transport in the gas phase (i.e. in aerosols) is an important yet poorly understood process because of the non-continuum nature of nanoparticle motion. Specifically, when the characteristic mean persistence distance of a nanoparticle (usually on the order of tens of nanometers at atmospheric pressure) is similar in size to length scale over which a nanoparticle is transported (as is the case in coagulation or in particle deposition by nanofibers), then neither continuum (diffusive) transport theory nor free molecular (ballistic) transport theory can be used to reliable predict nanoparticle mass transfer rates, including coagulation and deposition rates. This group uses MSI for Brownian Dynamic simulations (BD) of nanoparticle transport in this transition regime (between the diffusive and ballistic limits) to develop a comprehensive set of transport rate equations for nanoparticle in the gas phase. To date, through BD simulations they have successfully developed rate equations for the collisions of arbitrary shaped particles, and particles interacting via Coulombic and singular contact potentials. The researchers are now extending BD simulation results to predict deposition rates for nanoparticles within fibrous filters and to predict the porosity of particulate films synthesized by the deposition of particles from an aerosol.
A bibliography of this group’s publications acknowledging MSI is attached.