Search  
DOE Pulse
  • Number 427  |
  • November 24, 2014

Nanoparticle research aimed at catalytic materials designs

Ames scientists modeled the passing probability of two molecules within narrow channels of mesoporous nanoparticles to help determine optimal nanoparticle design.

Ames scientists modeled the passing
probability of two molecules within narrow
channels of mesoporous nanoparticles to
help determine optimal nanoparticle design.

Scientists at DOE's Ames Laboratory have developed deeper understanding of the ideal design for mesoporous nanoparticles used in catalytic reactions, such as hydrocarbon conversion to biofuels. The research will help determine the optimal diameter of channels within the nanoparticles to maximize catalytic output: narrow enough to fit as many pores in each particle as possible to maximize the number of catalytic sites – but wide enough for catalytic products and reactants to easily squeeze by each other and efficiently complete the reaction. To determine this “sweet spot” for channel diameter, scientists ran millions of simulation trials to better understand how molecules move past each other within the channel.

[Breehan Gerleman Lucchesi, 515.294.9750,
breehan@ameslab.gov]