(581a) Molecular Dynamics Simulation of Pressure-Driven Water Flow in Silicon-Carbon Nanotubes

Silicon-carbon nanotubes' excellent mechanical properties at high temperatures and pressures have made it an attractive material for use in fabrication of mixed-matrix membranes and perhaps even catalysts, as well as an alternative to carbon nanotubes. We have shown that, compared with carbon nanotubes, the SiC nanotubes have superior properties for hydrogen adsorption and storage [1]. In this paper, we use molecular dynamics simulation to study pressure-driven flow of water in the SiC nanotubes. The result of the study provide insights into the similarities and differences between the fluid mechanics of the problem at the nano- and macroscales, as well as emphasizing the differences with carbon nanotubes. The results are compared with those for water flow in carbon nanotubes.

[1] J. Chem. Phys. 132, 014310 (2010);