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http://hdl.handle.net/10773/20125
Title: | Simple and accurate correlations for diffusion coefficients of solutes in liquids and supercritical fluids over wide ranges of temperature and density |
Author: | Magalhaes, Ana L. Lito, Patricia F. Da Silva, Francisco A. Silva, Carlos M. |
Keywords: | TAYLOR DISPERSION TECHNIQUE IMPULSE-RESPONSE METHOD LENNARD-JONES FLUID LIMITING INTERDIFFUSION COEFFICIENTS AQUEOUS ALKANOLAMINE SOLUTIONS SLIGHTLY SOLUBLE GASES PARTIAL MOLAR VOLUMES ACID METHYL-ESTERS ALPHA-AMINO-ACIDS RHO-T DATA |
Issue Date: | 2013 |
Publisher: | ELSEVIER SCIENCE BV |
Abstract: | The binary diffusion coefficients at infinite dilution, D-12, are fundamental properties in chemical engineering simulation and design. In this work, very simple and accurate expressions involving two parameters are proposed/analyzed for their estimation. They depend only on temperature and/or solvent density and/or solvent viscosity. Their correlation and prediction abilities are tested with the largest database ever compiled, composed of 539 binary systems and 8219 data points, where polar/non-polar, symmetrical/asymmetrical, small/large, and light/heavy molecules are included without exception. It is shown that only two experimental D-12 values are sufficient to get good parameters for the subsequent estimation of reliable diffusivities far away from the conditions of the experimental data utilized to fit them. Globally, Eqs. (2)-(4) and (9) are recommended for D-12 calculation, due to the excellent results achieved for both correlation (average errors between 2.78% and 3.05%) and prediction (average errors between 4.21% and 4.44%). A comparison with models from the literature is also accomplished. (C) 2013 Elsevier B.V. All rights reserved. |
Peer review: | yes |
URI: | http://hdl.handle.net/10773/20125 |
DOI: | 10.1016/j.supflu.2013.02.002 |
ISSN: | 0896-8446 |
Publisher Version: | 10.1016/j.supflu.2013.02.002 |
Appears in Collections: | CICECO - Artigos |
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