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 (K_i) 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.

中文翻译：

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含有正十四烷 + γ-戊内酯 + 醛 [丁醛或戊醛或 (E)-2-十一烯醛] 在 298.15 K 的三元混合物的液-液平衡

γ-戊内酯 (GVL) 是一种基于生物质的化学品，具有吸引人的物理化学特性，可用作溶剂，但其提取工艺的实际开发仍需要对所涉及的热力学平衡进行广泛的映射和准确的模拟模型。从这个意义上说，这项工作旨在评估模型系统的液-液平衡，由正十四烷 + GVL + 醛 [丁醛或戊醛，或 ( E)-2-十一烯醛]，温度为 298.15 K，与费托柴油工艺中含氧污染物的提取有关。平衡状态下的相组成通过溶解度曲线上的密度相关性间接确定。丁醛和戊醛这两种短链醛都优选分布在溶剂相中，导致分配比（K _i）在 1.36-2.9 范围内，选择性高于 33.1，这表明使用 GVL 作为溶剂是合适的。NRTL 和 UNIQUAC 模型的二元相互作用参数成功地关联了实验数据，导致最大均方根偏差分别为 0.38% 和 0.47%。