McAllister’s Interaction Model has been extended to predict ultrasonic velocities in eight binary mixtures of ionic liquids and water at temperatures T = 288.15 K, 298.15 K, and 308.15 K.The ionic liquids chosen for the current study are [BMim][TfO], [BMpyr][TfO], [BMpy][TfO], [BMim][dca], [HMim][dca], [BMpyr][dca], [Mpy][MSO₄], and [EEpy][ESO₄]. The interactions considered in present cases have been investigated for a range of variations from three-body interactions to nine-body interactions. The experimental values of ultrasonic velocities for all the mixturesat temperatures T = 288.15 K, 298.15 K, and 308.15 Kare compared with the computed values. The differences between the experimental and theoretically predicted velocities are determined in terms of absolute percentage deviation. It is worth mentioning that McAllister’s Model of interactions has been extended, for consideration, from three-body interactions to nine-body interactions among constituent molecules of binary mixtures and applied for the prediction of ultrasonic velocities in binary mixtures of water and ionic liquids for the first time. The extended Huckel theory (EHT) is used to calculate the charge distributions in eight ionic liquids and water molecules to understand the active sites available for interactions on each constituting molecule of the binary mixtures under investigation. The results we obtained complemented our decision to extend McAllister’s interactions model (MAIM) to higher orders (four-body to nine-body interactions). The results obtained (using extended MAIM) report an excellent agreement with experimental velocity values for nine-body interactions for all the systems under study. It is also pointed out that McAllister’s assumption that the free energies of activation are the additive quantity for viscosity investigation in organic liquid mixtures is also valid in the case of ultrasonic velocity studies for ionic liquids and water mixtures. Considering McAllister’s conjecture that rather than a planar system of interactions among solvent-solute molecules, a three-dimensional approach to intermolecular interactions can be more appropriate, authors have confirmed the validity of McAlliter’s conjecture by successfully investigating three-dimensional multi-body (in the present case: 9-body) interactions in the binary mixtures of ionic liquids and water.

McAllister 的相互作用模型已扩展到预测温度 T = 288.15 K、298.15 K 和 308.15 K 下离子液体和水的八种二元混合物中的超声波速度。当前研究选择的离子液体是 [BMim][TfO]、[ BMpyr][TfO]、[BMpy][TfO]、[BMim][dca]、[HMim][dca]、[BMpyr][dca]、[Mpy][MSO 4 ]_和[EEpy][ESO ₄ ] 。目前案例中考虑的相互作用已经针对从三体相互作用到九体相互作用的一系列变化进行了研究。将所有混合物在温度T=288.15 K、298.15 K和308.15 Kare时的超声波速度实验值与计算值进行了比较。实验速度和理论预测速度之间的差异以绝对百分比偏差来确定。值得一提的是，麦卡利斯特相互作用模型已从二元混合物组成分子之间的三体相互作用扩展到九体相互作用，并应用于预测水和离子液体二元混合物中的超声速度，以供考虑。第一次。扩展休克尔理论 (EHT) 用于计算八种离子液体和水分子的电荷分布，以了解所研究的二元混合物的每个构成分子上可用于相互作用的活性位点。我们获得的结果补充了我们将麦卡利斯特相互作用模型 (MAIM) 扩展到更高阶（四体到九体相互作用）的决定。获得的结果（使用扩展 MAIM）报告与所有正在研究的系统的九体相互作用的实验速度值非常一致。还指出，麦卡利斯特关于活化自由能是有机液体混合物粘度研究的附加量的假设在离子液体和水混合物的超声速度研究中也是有效的。考虑到麦卡利特的猜想，即分子间相互作用的三维方法比溶剂-溶质分子之间相互作用的平面系统更合适，作者通过成功研究三维多体（在当前案例：离子液体和水的二元混合物中的 9 体）相互作用。