Transport properties of nitrogen and n-alkane binary mixtures

We have performed molecular dynamic (MD) simulations of nitrogen/n-alkane b inary mixtures in the liquid phase to obtain the diffusion coefficient and the shear viscosity. The states are chosen to be in the liquid-vapor equili brium, 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 t hese mixtures the composition of nitrogen varies up to 0.25. We obtained th e 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 mixtu res with n-decane. The shear viscosity of nitrogen/n-hexane mixtures is sma ller than those of nitrogen/n-decane mixtures and in general decreases with nitrogen concentration. (C) 2001 Elsevier Science B.V. All rights reserved .