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.
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
subject category
Chemistry; Engineering
authors
Magalhaes, AL; Lito, PF; Da Silva, FA; Silva, CM
our authors
Ana Luísa Carvalho Magalhães
Post-doc Fellowship
Carlos Manuel Silva
Associate Professor
Francisco Avelino Silva Freitas
Assistant Professor
Patrícia Ferreira Lito
Post-doc Fellowshipacknowledgements
Authors acknowledge Fundacao para a Ciencia e a Tecnologia (Portugal) for the research grants of Ana L. Magalhaes (SFRH/BD/46776/2008) and Patricia F. Lito (SFRH/BPD/63214/2009), the financial support to Associate Laboratory CICECO (Pest-C/CTM/LA0011/2011), and 7th Framework Programme FP7/2007-2013 for funding project AFORE: Forest Biorefineries: added-value from chemicals and polymers by new integrated separation, fractionation and upgrading technologies (CP-IP 228589-2).