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Measurement and Modeling of Thermodynamic Properties for Ternary Mixtures Containing 1-Butyl-3-methylimidazolium-Based Ionic Liquids with Acetophenone and Acetic or Propionic Acid
Journal of Chemical & Engineering Data ( IF 2.6 ) Pub Date : 2021-11-11 , DOI: 10.1021/acs.jced.1c00512
Kgomotso Masilo 1 , Indra Bahadur 1 , Márcio L. L. Paredes 2
Affiliation  

In the present work, we obtained density (ρ123), speed of sound (u123), excess molar volume (Vm123E), and deviation in isentropic compressibility (Δks123) for ternary mixtures of {[BMIM][BF4] (x1) + acetic acid (x2) + acetophenone (x3)} (mixture 1), {[BMIM][BF4] (x1) + propionic acid (x2) + acetophenone (x3)} (mixture 2), and {[BMIM][PF6] (x1) + acetic acid (x2) + acetophenone (x3)} (mixture 3) at temperatures ranging between 293.15 and 333.15 K and at a pressure of 0.1 MPa. Vm123E and Δks123 values of the ternary systems were modeled with 9 predictive (no estimated parameter) and 7 correlative terms, leading to a total of 63 evaluated models. Using a standardized deviation (σ), it was possible to estimate the optimal number of parameters in the correlation, which varied from 1 to 11. The average σ for Vm123E mixture 3 was about twice the values for mixtures 1 and 2, even using more parameters for the last mixtures. For Δks123, σ is in the same range for the three mixtures, even though only one parameter is used in each temperature for mixture 1 and up to 11 are used in mixtures 2 and 3. These results indicate that nonideality qualitatively is in the order mixture 3 > mixture 2 > mixture 1.

中文翻译:

含有 1-丁基-3-甲基咪唑鎓基离子液体与苯乙酮和乙酸或丙酸的三元混合物的热力学性质的测量和建模

在目前的工作中,我们获得了 {[BMIM] 三元混合物的密度 (ρ 123 )、声速 ( u 123 )、过量摩尔体积 ( V m 123 E ) 和等熵压缩率偏差 (Δ k s 123 ) [BF 4 ] ( x 1 ) + 乙酸 ( x 2 ) + 苯乙酮 ( x 3 )} (混合物 1), {[BMIM][BF 4 ] ( x 1 ) + 丙酸 ( x 2 ) + 苯乙酮 ( x 3 )} (混合物 2) 和 {[BMIM][PF 6 ] (x 1 ) + 乙酸 ( x 2 ) + 苯乙酮 ( x 3 )}(混合物 3),温度范围为 293.15 至 333.15 K,压力为 0.1 MPa。三元系统的V m 123 E和 Δ k s 123值用 9 个预测(无估计参数)和 7 个相关项进行建模,从而得到总共 63 个评估模型。使用标准化的偏差(σ),有可能估计的在相关参数的最佳数目,从1变化到11,平均σ V123 ë混合物 3 的值大约是混合物 1 和 2 的两倍,即使对最后的混合物使用更多参数。对于 Δ k s 123,三种混合物的 σ 在相同的范围内,即使在混合物 1 的每个温度下只使用一个参数,而在混合物 2 和 3 中使用多达 11 个参数。这些结果表明非理想性在混合物 3 > 混合物 2 > 混合物 1 的顺序。
更新日期:2021-12-09
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