Measurement and correlation of binary diffusion coefficients of lithium acetylacetonate in supercritical carbon dioxide and in liquid ethanol

Kong, Chang Yi; Yakumaru, Yoshiki; Funazukuri, Toshitaka

doi:10.1016/j.supflu.2015.07.003

Cited by 10 publications

(1 citation statement)

References 32 publications

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“…Various empirical equations are available and can be applied to polar and non-polar solvent systems, namely those proposed by Magalhães et al [13] and others sparsely tested in the literature [14][15][16][17][18]. Notwithstanding their suitability for D 12 correlation and the good results achieved (e.g., Magalhães et al [13] obtained AARD = 2.8% for 8219 data points/539 systems), their scope of application is difficult to assess and they are generally tested with few data points (with exception for the work of Magalhães et al).…”

Section: Introductionmentioning

confidence: 99%

Modeling Tracer Diffusion Coefficients of Any Type of Solutes in Polar and Non-Polar Dense Solvents

Zêzere¹,

Portugal²,

Gomes³

et al. 2022

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In this work, a simple two-parameters correlation based on the Rice and Gray, Lennard-Jones, and Stockmayer theories was devised for the calculation of binary diffusion coefficients (D12) of any type of solutes at infinite dilution in polar and non-polar solvents. This equation can be relevant for systems with polar solvents, since most models in the literature fail when strong intermolecular forces predominate in solution. The new correlation embodies the Stockmayer potential without requiring the dipole moments of any component, which significantly enlarges its application. It was validated with the largest D12 database of polar and non-polar dense systems, with 8812 data points (NDP) spanning 553 systems, of which 133 have water as solvent (NDP = 1266), 89 contain polar solvents excluding water (NDP = 1405), 177 have supercritical carbon dioxide (SC-CO2) as solvent (NDP = 5028), and 154 have non-polar or weakly polar solvents excluding SC-CO2 (NDP = 1113). Overall, the model achieved an average deviation of only 3.43%, with accurate and unbiased behavior even for polar systems.

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