Transport properties of Ar-Kr binary mixture in nanochannel Poiseuille flow

Transport properties, including thermal conductivity and shear viscosity, of the Ar-Kr binary mixture confined in a nanochannel under Poiseuille flow are calculated by equilibrium molecular dynamics (EMD) simulation through Green-Kubo formula. An external force is applied in the x-direction to drive the Poiseuille flow. Thermal conductivity of the confined mixture in the x- and y-direction is obviously higher than that in macroscale, as a result of the strong interacting potential between the fluid atoms and the wall atoms. Thermal conductivity of the flowing binary mixture is obviously anisotropic. With increasing the external driving force, in the x-direction the thermal conductivity increases, whereas in the y-direction it keeps constant. The xz- and yz-component of the shear viscosity of the confined mixture are enhanced comparing with the xy-component owing to the collisions between the fluid atoms and the wall atoms in the z-direction. They are higher than the results in macroscale and decrease with the external driving force increasing. For the binary mixture, thermal conductivity and shear viscosity vary with the mole fraction of the Kr atoms. The interactions between the fluid atoms and the wall atoms play a key role in the transport properties of the binary mixture confined in the nanochannel. (C) 2011 Elsevier Ltd. All rights reserved.