abstract
This work compiles the largest database of tracer diffusion coefficients (D-12) containing 6180 experimental points from 331 non-polar and weakly polar liquid and supercritical systems. Then, the Tracer Liu - Silva - Macedo (TLSM) model and its 1-parameter correlations (TLSMd and TLSMen) are evaluated using this database, taking into account the importance of phenomenological and reliable equations for D-12 estimation. The TLSM model achieves good results with absolute average relative deviations (AARD) of 16.84 % while TLSMd and TLSMen show better performance with AARD of 4.53 % and 4.55 %, respectively. All properties and parameters needed for D-12 estimation are compiled in Appendix. For comparison, the models of Wilke-Chang and Reddy-Doraiswamy, and the correlations of Magalhaes et al. (LJ-1) and Dymond-Hildebrand-Batschinsky (DHB) are also assessed. (C) 2020 Elsevier B.V. All rights reserved.
subject category
Chemistry, Physical; Engineering, Chemical
authors
Zezere, B; Portugal, I; Gomes, JRB; Silva, CM
our authors
Bruno Miguel Martins Zêzere
PhD Student
Carlos Manuel Silva
Associate Professor
Inês Portugal
Assistant Professor
José R. B. Gomes
Principal ResearcherGroups
4 - biorefineries, biobased materials and recycling
6 - computer simulation and multiscale modeling
acknowledgements
This work was developed within the scope of the project CICECO-Aveiro Institute of Materials, UIDB/50011/2020 & UIDP/50011/2020, financed by national funds through the Portuguese Foundation for Science and Technology/MCTES. Bruno Zezere thanks FCT for the PhD grant SFRH/BD/137751/2018.