American Chemical Society
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Liquid–Liquid Equilibria of Ternary Mixtures Containing n‑Tetradecane + γ‑Valerolactone + Aldehyde [Butanal or Pentanal or (E)‑2-Undecenal] at 298.15 K

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journal contribution
posted on 2022-01-19, 19:36 authored by Carlos E. S. Dantas, Roberta Ceriani
γ-Valerolactone (GVL) is a biomass-based chemical with appealing physicochemical properties for use as a solvent, but its actual development of extraction processes still requires an extensive mapping of the thermodynamic equilibrium involved and accurate models for simulation. In this sense, this work aimed at evaluating the liquid–liquid equilibrium of model systems, composed of n-tetradecane + GVL + aldehyde [butanal or pentanal, or (E)-2-undecenal] at 298.15 K, related to the extraction of oxygenated contaminants in a Fischer–Tropsch diesel process. Phase compositions in equilibrium were indirectly determined by means of density correlation along the solubility curve. Both short-chain aldehydes, butanal and pentanal, distributed preferably within the solvent phase, resulting in the partition ratio (Ki) within the range of 1.36–2.9 and selectivity higher than 33.1, which reveals the suitability for using GVL as the solvent. The binary interaction parameters of the NRTL and UNIQUAC models successfully correlated the experimental data, resulting in maximum root mean square deviations of 0.38 and 0.47%, respectively.