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A Global Model for the Estimation of Speeds of Sound in Deep Eutectic Solvents

机译:深共晶溶剂中声速估计的全局模型

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摘要

Deep eutectic solvents (DESs) are newly introduced green solvents that have attracted much attention regarding fundamentals and applications. Of the problems along the way of replacing a common solvent by a DES, is the lack of information on the thermophysical properties of DESs. This is even more accentuated by considering the dramatically growing number of DESs, being made by the combination of vast numbers of the constituting substances, and at their various molar ratios. The speed of sound is among the properties that can be used to estimate other important thermodynamic properties. In this work, a global and accurate model is proposed and used to estimate the speed of sound in 39 different DESs. This is the first general speed of sound model for DESs. The model does not require any thermodynamic properties other than the critical properties of the DESs, which are themselves calculated by group contribution methods, and in doing so, make the proposed method entirely independent of any experimental data as input. The results indicated that the average absolute relative deviation percentages (AARD%) of this model for 420 experimental data is only 5.4%. Accordingly, based on the achieved results, the proposed model can be used to predict the speeds of sound of DESs.
机译:深共熔溶剂(DES)是新引入的绿色溶剂,在基本原理和应用方面引起了很多关注。在用DES代替普通溶剂的过程中,问题之一是缺乏有关DES的热物理性质的信息。考虑到由大量构成物质的组合以及各种摩尔比组成的DES的数量急剧增加,这一点更加突出。声速是可用于估计其他重要热力学性质的性质之一。在这项工作中,提出了一个全局且准确的模型,并将其用于估算39个不同DES中的声音速度。这是DES声音模型的第一个通用速度。该模型除了DES的关键特性外,不需要其他任何热力学特性,它们本身是通过基团贡献法计算的,因此,使所提出的方法完全独立于任何实验数据作为输入。结果表明,该模型对420个实验数据的平均绝对相对偏差百分比(AARD%)仅5.4%。因此,基于所获得的结果,所提出的模型可以用于预测DES的声音速度。

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