Tracer diffusion coefficients of polar systems
authors Magalhaes, AL; Da Silva, FA; Silva, CM
nationality International
journal CHEMICAL ENGINEERING SCIENCE
author keywords Transport processes; Diffusion; Mathematical modeling; Solutions; Tracer diffusion coefficient; Polar systems
keywords SUPERCRITICAL CARBON-DIOXIDE; TAYLOR DISPERSION TECHNIQUE; LENNARD-JONES FLUID; LIMITING INTERDIFFUSION COEFFICIENTS; SLIGHTLY SOLUBLE GASES; RHO-T DATA; INFINITE-DILUTION; TEMPERATURE-RANGE; ORGANIC-COMPOUNDS; HARD-SPHERE
abstract A new model for tracer diffusion coefficients of real systems containing at least one polar component (solvent and/or solute) is proposed in this work. It is applicable for dense gas, liquid, and supercritical phases. It is based on the Rice and Gray approach applied to the Stockmayer potential. The new expression embodies three friction coefficients to take into account a repulsive hard sphere core, a soft Lennard-Jones contribution, and a specifically polar interaction term. The model is explicit on temperature and density, and requires only two parameters. The validation was accomplished with the largest database ever compiled - 211 binary systems and 3463 data points - giving rise to an average absolute relative deviation (AARD) of 3.65%. In the particular case of systems with polar solvents - the main objective of this essay - very accurate results were also obtained: AARD=4.27% for 141 systems and 1994 experimental points. The predictive capability of the new model was also evaluated, exhibiting good and reliable behavior. A spreadsheet for D-12 calculation is provided. (C) 2011 Elsevier Ltd. All rights reserved.
publisher PERGAMON-ELSEVIER SCIENCE LTD
issn 0009-2509
year published 2012
volume 73
beginning page 151
ending page 168
digital object identifier (doi) 10.1016/j.ces.2011.12.004
web of science category Engineering, Chemical
subject category Engineering
unique article identifier WOS:000301340000014

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