Modeling and simulation of titanium dioxide nanoparticle synthesis with finite-rate sintering in planar jets

Sean C. Garrick, Guanghai Wang

Research output: Contribution to journalArticlepeer-review

11 Scopus citations

Abstract

Numerical simulations of titanium dioxide nanoparticle synthesis in planar, non-premixed diffusion flames are performed. Titania is produced by the oxidation of titanium tetrachloride using a methane-air flame. The flow field is obtained using the two-dimensional Navier-Stokes equations. The methane-air flame and oxidation of titanium tetrachloride are modeled via one-step reactions. Evolution of the particle field is obtained via a nodal method which accounts for nucleation, condensation, coagulation, and coalescence with finite-rate sintering. The modeling of finite-rate sintering is accomplished via the use of uniform primary-particle size distribution. Simulations are performed at two different jet-to-co-flow velocity ratios as well as with finite-rate and instantaneous sintering models. In doing so we elucidate the effect of fluid mixing and finite-rate sintering on the particle field. Results show that highly agglomerated particles are found on the periphery of the eddies, where the collisions leading to nanoparticle coagulation occur faster than nanoparticle coalescence.

Original languageEnglish (US)
Pages (from-to)973-984
Number of pages12
JournalJournal of Nanoparticle Research
Volume13
Issue number3
DOIs
StatePublished - Mar 1 2011

Keywords

  • Flames
  • Fluid mechanics
  • Modeling
  • Nanoparticles
  • Simulation
  • Sintering

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