Fluid Phase Equilibria, Vol.185, No.1-2, 389-396, 2001
Transport properties of nitrogen and n-alkane binary mixtures
We have performed molecular dynamic (MD) simulations of nitrogen/n-alkane binary mixtures in the liquid phase to obtain the diffusion coefficient and the shear viscosity. The states are chosen to be in the liquid-vapor equilibrium, in this case, the liquid density at 310.93 K is around 0.65 and 0.74 g/cm(3) for mixtures containing n-hexane and n-decane, respectively. For these mixtures the composition of nitrogen varies up to 0.25. We obtained the transport properties using Green-Kubo relations. As the mole fraction of nitrogen increases, the diffusion coefficient of nitrogen in both mixtures decreases. The diffusion is greater in mixtures with n-hexane than in mixtures with n-decane. The shear viscosity of nitrogen/n-hexane mixtures is smaller than those of nitrogen/n-decane mixtures and in general decreases with nitrogen concentration.