Gas Phase Nanoparticle Transport
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 have additionally extended 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. Current investigations include the development of population based models to model particle growth based upon BD inferred rate coefficients, as well as the design of condenser with BD inferred condensation rate coefficients.
A bibliography of this group’s publications is attached.
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