Improved Stokes-Einstein based models for diffusivities in supercritical CO2
authors Vaz, RV; Magalhaes, AL; Silva, CM
nationality International
journal JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
author keywords Carbon dioxide; Diffusion coefficients; Modeling; Prediction; Stokes-Einstein equations
keywords TRACER DIFFUSION-COEFFICIENTS; BINARY-LIQUID MIXTURES; CARBON-DIOXIDE; INFINITE DILUTION; HARD-SPHERE; WIDE RANGES; FLUIDS; SYSTEMS; TEMPERATURE; EQUATION
abstract The large interest and applications of supercritical carbon dioxide (SC-CO2) require the existence of transport properties for simulation and/or design. In this work, pure predictive models are proposed for the accurate estimation of binary diffusivities at infinite dilution in SC-CO2. They are three simple and straightforward expressions grafted on the Wilke-Chang, Scheibel and Lusis-Ratcliff equations, whose deviations to the Stokes-Einstein behavior in the supercritical domain are corrected by introducing two universal constants. Such modifications decrease the average errors from [11.70-23.16]% to [8.26-8.51]% for a large database of 150 systems and 4484 data points over wide ranges of temperature and pressure. The dispersion of the computed errors is also significantly lower, which highlights the reliability of our improved models to accurately predict tracer diffusivities. (C) 2013 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
publisher ELSEVIER SCIENCE BV
issn 1876-1070
year published 2014
volume 45
issue 4
beginning page 1280
ending page 1284
digital object identifier (doi) 10.1016/j.jtice.2013.12.005
web of science category Engineering, Chemical
subject category Engineering
unique article identifier WOS:000340352000022
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