Self-diffusion coefficients of heavy water in low n-alkanes

Abstract

The self-diffusion coefficients of D2O (i.e., heavy water or 2H2O) in eight n-alkanes at 298 K were investigated using 2H NMR diffusometry. D tended to decrease in the n-alkanes with increasing carbon number and be inversely proportional to the n-alkane viscosity to a fractional power. The hydrodynamic radius of D2O in the n-alkanes, calculated from Stokes-Einstein-Sutherland equation with stick boundary conditions, decreased with increasing n-alkane size and was smaller in the n-alkanes than in the bulk phase due to the absence of hydrogen bonds. This study provides fundamental data on the diffusion properties of water molecules dissolved in n-alkanes with applications to, for instance, molecular dynamics simulations or interpretation of Ostwald ripening.