The experimental data of the solubility curve and the tie line for the ternary system containing compounds of water, acetic acid, and 1-octanol were studied over the temperature range (298 to 328) K and atmospheric pressure. This ternary system showed the behavior of type 1 liquid–liquid equilibrium (LLE) systems. Also, to test the tie line consistency, the obtained experimental data were correlated with Othmer-Tobias and Han equations. Distribution coefficients, selectivity factors, and percentage of extraction were determined to evaluate the extracting capacity of the solvent. Interaction parameters of the nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) thermodynamic models were estimated using a genetic algorithm (GA) and particle swarm optimization (PSO) which are evolutionary optimization methods. The mean RMSD values between the calculated and experimental mass fractions of the NRTL and UNIQUAC models using GA were 0.0047 and 0.0089, and using PSO were 0.0023 and 0.0042, respectively. The RMSD values indicate that the NRTL and UNIQUAC models are suitable for describing the phase behavior of the studied LLE systems and the accuracy of the PSO method is slightly more than that of the GA.

中文翻译：

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液-液平衡三元体系（水 + 乙酸 + 1-辛醇）在多个温度下的实验数据和热力学建模

在温度范围（298 至 328）K 和大气压下研究了包含水、乙酸和 1-辛醇化合物的三元体系的溶解度曲线和连接线的实验数据。这种三元系统表现出 1 型液-液平衡 (LLE) 系统的行为。此外，为了测试联络线的一致性，获得的实验数据与 Othmer-Tobias 和 Han 方程相关。确定分配系数、选择性因子和萃取百分比以评估溶剂的萃取能力。非随机二液 (NRTL) 和通用准化学 (UNIQUAC) 热力学模型的相互作用参数是使用进化优化方法的遗传算法 (GA) 和粒子群优化 (PSO) 估计的。使用 GA 的 NRTL 和 UNIQUAC 模型的计算质量分数和实验质量分数之间的平均 RMSD 值分别为 0.0047 和 0.0089，使用 PSO 分别为 0.0023 和 0.0042。RMSD 值表明 NRTL 和 UNIQUAC 模型适用于描述所研究的 LLE 系统的相位行为，并且 PSO 方法的准确性略高于 GA。