Nonideal Behavior of Aqueous Deep Eutectic Solvents Based on Tetrabutylphosphonium Bromide and Ethylene Glycol/Glycerol,Journal of Chemical & Engineering Data

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Nonideal Behavior of Aqueous Deep Eutectic Solvents Based on Tetrabutylphosphonium Bromide and Ethylene Glycol/Glycerol
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2022-09-29 , DOI: 10.1021/acs.jced.2c00372
Azza Al-Ghamdi _{1,

2} , Deepak Saini ₃ , Mithlesh Singh ₄ , Naved I. Malek ₃

Affiliation

Understanding the effect of solvents on the thermophysical properties of deep eutectic solvents (DESs) is crucial to utilize their green credentials in several industrial processes. Herein, we explore the nonideal behavior of aqueous DES mixtures to better understand the prevailing intermolecular interactions within them. The used DESs are composed of tetrabutylphosphonium bromide and ethylene glycol/glycerol. The nonideal behavior is explored through calculating the excess molar volume (V_m^E) and viscosity deviation (ln η_m) over the entire range of compositions and the temperature range from 293.15 to 323.15 K at 101.3 kPa pressure. The values of V_m^E and ln η_m are fitted with the Redlich–Kister-type polynomial equation. The negative V_m^E and ln η_m values indicate the strong H-bonding interactions between the DES and water and destruction of the DES structure. The experimentally calculated values of V_m^E are further evaluated using the well-known Prigogine–Flory–Patterson (PFP) theory and extended real association (ERAS) model. Looking at their increasing utilization, we believe that the results of the present study will be beneficial for designing various industrial equipment and processes.

中文翻译：

基于四丁基溴化鏻和乙二醇/甘油的水性深共晶溶剂的非理想行为

了解溶剂对低共熔溶剂 (DES) 热物理性质的影响对于在多个工业过程中利用其绿色证书至关重要。在这里，我们探索了水性 DES 混合物的非理想行为，以更好地了解其中普遍存在的分子间相互作用。使用的 DES 由溴化四丁基鏻和乙二醇/甘油组成。通过计算整个组成范围内的过量摩尔体积 ( V _m^E ) 和粘度偏差 (ln η _m ) 以及在 101.3 kPa 压力下从 293.15 到 323.15 K 的温度范围来探索非理想行为。V _m^E和 ln η _m的值符合 Redlich-Kister 型多项式方程。负的V _m^E和 ln η _m值表明 DES 和水之间的强氢键相互作用以及 DES 结构的破坏。使用著名的 Prigogine-Flory-Patterson (PFP) 理论和扩展实关联 (ERAS) 模型进一步评估V _m^E的实验计算值。鉴于它们日益增加的利用率，我们相信本研究的结果将有利于设计各种工业设备和工艺。

更新日期：2022-09-29

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