Equilibrium data and GC-PC SAFT predictions for furanic extraction

Abstract

International audienceThe present study concerns phase equilibria measurements involving oxygenated components (furan and furfural) and potential solvents of extraction (n-hexane, ethanol and n-octanol) using an ebulli-ometer at atmospheric pressure. New liquid-liquid equilibrium data concerning the ternary system furan þ furfural þ n-hexane are also presented. The experimental technique used for the liquid-liquid equilibrium measurements is based on the static analytic method. The two liquid phases are sampled using a syringe and analyzed using gas chromatograph. Two thermodynamic approaches are considered for the data treatment: the first considers a dissymmetric approach using the NRTL activity coefficient model, and the second considers a group contribution model based on the PC-SAFT EoS (GC-PPC SAFT). The experimentally measured data were successfully correlated with the models proposed

Evaluation of experimental and predicted vapor-liquid equilibrium data for systems relevant to biomass fast pyrolysis and catalytic upgrading

“…The gas-phase compositions from both models agree with ones reported by Tai et al [41] and disagree by up to 0.2 mole fraction with the data of Chen et al [43]. The pressure deviations [42] are supported by those for (2-methylfuran + 2-furaldehyde) [44] and (2,5-dimethylfuran + furfuryl alcohol) [45] and those of Ref. [43] are consistent with the data for (2-methylfuran + furfuryl alcohol) [41].…”

“…[43] are consistent with the data for (2-methylfuran + furfuryl alcohol) [41]. While the analysis above gives a certain preference to the PTx data by Auger et al [42], the results are inconclusive. New experimental data are required for (furan + 2-furaldehyde).…”

“…For the first group, significant inconsistencies exist for both the experimental and computed results. VLE for (furan + 2-furaldehyde) have been reported in three publications [41,42,43]. Despite the pressures predicted with the two models differ significantly (Fig.…”

“…3a and 3c). This publication is available free of charge from: https://doi.org/10.6028/NIST.IR.8357 Circles are for furan + 2-furaldehyde: , Tai et al [41]; , Auger et al [42]; ◑, Chen et al [43]. Diamonds () are for 2-methylfuran + 2-furaldehyde, Holdren and Hixon [44].…”

“…Comparison of the predicted and experimental pressures P and first-component mole fractions y1 in the gas phase at different first-component mole fractions in the liquid phase x1 for the binaries of furan and methylfuranes with methanol and ethanol: a, c, NIST-COSMO-SAC; b, d: NIST-Modified UNIFAC.Circles () are for furan + ethanol, Auger et al[42]. Triangles () are for furan + 1-octanol, Auger et al[42]. Pluses (+) are for 2-methylfuran + methanol, Hickman and Hall[56].…”