Computer simulations of fluid driven molecular rotors

ORGN 48

Jaroslav Vacek, vacek@eefus.colorado.edu1, Dominik Horinek, horinek@eefus.colorado.edu2, Alexandr Prokop, prokop@uochb.cas.cz3, and Josef Michl, michl@eefus.colorado.edu2. (1) Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 166 10 Prague 6, Czech Republic, (2) Department of Chemistry and Biochemistry, University of Colorado, 215 UCB, Boulder, CO 80309, (3) Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Czech Republic
We used molecular dynamics to study the response of surface-mounted molecular-sized rotors to fluid flow. Propeller-shaped azimuthal rotors (axle normal to surface) mounted on rectangular molecular grids were driven by flow of rare gas from a supersonic jet. Regular rotational motion resulted under most conditions examined. Paddle-wheel shaped altitudinal molecular rotors (axle parallel to surface) were simulated in a flow of water or a gas and little response was found. The possibility to drive altitudinal rotors by absorption of light pulses has been considered.

 

Molecular Rotors: Ethane, Gyroscopes, Arrays, and Beyond
1:30 PM-5:00 PM, Sunday, 28 August 2005 Washington DC Convention Center -- Ballroom B, Oral

Division of Organic Chemistry

The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005