PHYSICS

Simulation of flows in nanochannels by the molecular dynamics method

V. Ya. Rudyak, A. A. Belkin, V. V. Egorov, D. A. Ivanov

Novosibirsk State University of Architecture and Civil Engineering

Abstract: On the basis of molecular dynamics method the algorithm for the first time enables to simulate a plane flow in nanochannels with a pressure drop is proposed. Interaction between molecules of the fluid is simulated by the potential of hard spheres or the Lennard-Jones potential. The properties of nanoflows are studied. It is shown that the structure of fluids in nanochannels differs significantly from its structure in the bulk. Data on the dependence of friction coefficient on the Knudsen and Reynolds numbers are presented. It is established that the pressure drop depends strongly on the accommodation coefficients (for the fluid of hard spheres) or the parameters of the interaction of fluid molecules with molecules of the wall (for the Lennard-Jones fluid).

Keywords: nanochannels, pressure drop, friction head loss, molecular dynamics method, fluid structure.

UDC: 532.137.2; 532.5.013.12

PACS: 47.11.Mn 47.67.-k 62.25.-g

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