Experiments were conducted to optimize the extraction equilibrium of reactive systems (water + heterocyclic carboxylic acid + Alamine 300/diluent) at T = 298.2 K and P = 101.3 kPa. The uptake capacity of the commercial composite solvent Alamine 300/diluent approximates the order: 2-furoic acid ≥ alpha-oxo-2-furanacetic acid > tetrahydro-2-furoic acid, and n-heptane < 1,2-dichloroethane < 1-heptanol ≤ 2-heptanone. Four differentiable models featuring the effects of separation ratio R and synergistic enhancement SE factors are stringently tested to identify global optimization ranges by derivative variation method as follows: 0.2 < R < 0.8 and 4 < SE < 7 for 1-heptanol and 2-heptanone, 1.2 < R < 3.5 and 4 < SE < 6.5 for 1,2-dichloroethane, 2 < R < 80 and 4 < SE < 80 for n-heptane, and Alamine 300 concentration 0.12–0.18 mol dm⁻³. Consecutively, the optimum mass transfer stages of a countercurrent extraction are calculated by Kremser–Souders–Brown equation. The equilibrium properties are estimated precisely according to linear solvation energy relation with substantial improvement linear solvation energy relation with substantial improvement (LSER-si), solvation probability relation solvation probability relation (SPR) and Chemodel-modified yielding mean relative errors of 7.0%, 0.08% and 20.4%, respectively.

中文翻译：

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使用 Alamine 300/稀释剂复合溶剂从水溶液中反应萃取杂环单羧酸的平衡研究：溶剂效应的优化和建模

在T  = 298.2 K 和P  = 101.3 kPa时，进行了实验以优化反应体系（水 + 杂环羧酸 + 丙胺 300/稀释剂）的萃取平衡。市售复合溶剂Alamine 300/稀释剂的吸收能力大致为：2-糠酸≥α-氧代-2-呋喃乙酸>四氢-2-糠酸，正庚烷<1,2-二氯乙烷<1-庚醇≤2-庚酮。以分离比R和协同增强SE因子的影响为特征的四个可微模型经过严格测试，以通过导数变化方法确定全局优化范围，如下所示：0.2 <  R  < 0.8 和 4 <  SE< 7 对于 1-庚醇和 2-庚酮，1.2 <  R  < 3.5 和 4 <  SE < 6.5 对于 1,2-二氯乙烷，2 <  R  < 80 和 4 <  SE < 80 对于正庚烷和 Alamine 300 浓度 0.12 –0.18 摩尔分米^-3。连续地，逆流萃取的最佳传质阶段由 Kremser-Souders-Brown 方程计算。平衡性质是根据​​线性溶剂化能量关系与显着改善线性溶剂化能量关系与显着改善（LSER-si），溶剂化概率关系溶剂化概率关系（SPR）和化学模型修正的7.0％，0.08的平均相对误差% 和 20.4%，分别。