Prediction of binary diffusion coefficients in supercritical CO2 with improved behavior near the critical point
authors Vaz, RV; Magalhaes, AL; Silva, CM
nationality International
journal JOURNAL OF SUPERCRITICAL FLUIDS
author keywords Carbon dioxide; Critical enhancement; Critical point; Diffusion coefficients; Modeling; Prediction
keywords IMPULSE-RESPONSE METHOD; TAYLOR DISPERSION TECHNIQUE; FLUID CHROMATOGRAPHY SFC; PARTIAL MOLAR VOLUMES; ACID METHYL-ESTERS; EQUATION-OF-STATE; CARBON-DIOXIDE; INFINITE-DILUTION; TRACER DIFFUSION; RETENTION FACTORS
abstract In this work, a predictive model for binary diffusivities at infinite dilution (D-12) in SC-CO2 is proposed. It combines two terms - background and singular - with the objective to represent D-12 accurately not only far but also near the critical point, where critical enhancement is always observed. The model provides an average error of 6.20% for a large database including 149 systems and 4469 data points over wide ranges of temperature and pressure. The models selected for comparison (Wilke-Chang, Scheibel, Lusis-Ratcliff, Lai-Tan, Tyn-Calus and Reddy-Doraiswamy) achieve scattered and biased results, with average errors from 11.62% to 75.17%. In the whole, the new model exhibits an excellent performance for any kind of molecules in terms of size, molecular weight, polarity and sphericity, in all critical region. In order to help interested readers, a spreadsheet for the calculation of D-12 is given in Supplementary data. The input data is: temperature, pressure, CO2 viscosity, and solute properties (acentric factor, critical constants, molar volume at normal boiling point, and molecular weight - given in this paper for the systems studied). (C) 2014 Elsevier B.V. All rights reserved.
publisher ELSEVIER SCIENCE BV
issn 0896-8446
year published 2014
volume 91
beginning page 24
ending page 36
digital object identifier (doi) 10.1016/j.supflu.2014.03.011
web of science category Chemistry, Physical; Engineering, Chemical
subject category Chemistry; Engineering
unique article identifier WOS:000338616300004
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