Infinite-dilution diffusion coefficients in supercritical fluids

摘要: A predictive equation, based on the rough-hard-sphere theory, was developed for determination of infinite-dilution molecular diffusion coefficients in supercritical fluids. The equation parameters were determined from dynamics simulations and experimental data 1-octene ethane, propane, hexane over a wide range temperatures pressures fluid densities 69.9−500.2 kg/m3. An extensive database fluids collected through literature order to evaluate proposed determine accuracy predictions with no additional parameter adjustment. very good, an average absolute deviation 15.08% 1548 points. For systems where actual critical constants available, error reduces 9.61% 939