Generalized Model to Estimate the Refractive Indices of Deep Eutectic Solvents,Journal of Chemical & Engineering Data

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Generalized Model to Estimate the Refractive Indices of Deep Eutectic Solvents
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2020-07-06 , DOI: 10.1021/acs.jced.0c00308
Mehrdad Taherzadeh ₁ , Reza Haghbakhsh _{1,

2} , Ana Rita C. Duarte ₂ , Sona Raeissi ₁

Affiliation

Reports on deep eutectic solvents (DESs), as a new category of green media following ionic liquids (ILs), are increasingly emerging in the literature. Because of the dramatically large number of DESs that will be introduced in the future, it would require much time and expense to experimentally measure their refractive indices. Therefore, proposing a global model that has the ability to estimate the refractive indices of various types of DESs is vital. In this study, it was the goal to develop an accurate, global, simple, and easy-to-use model for estimating the refractive indices of large numbers of DESs having different natures. With this idea in mind, a large up-to-date data bank for DESs was collected, consisting of 1203 data points from 153 different DESs, to develop the model. The proposed model requires critical pressure, molecular weight, and acentric factor as the input parameters. These parameters are calculated by suggested procedures. Therefore, in essence, to be used, the refractive index model does not need any experimental data. The overall absolute average relative deviation, AARD%, of the proposed model for all of the investigated DESs is 1.03%, which indicates high accuracy, as well as generality, for the estimation of the refractive indices of DESs.

中文翻译：

深层共晶溶剂折光指数的广义模型

在离子液体（ILs）之后，关于深共熔溶剂（DESs）作为绿色介质的新类别的报道在文献中越来越多。由于将来会引入大量的DES，因此通过实验测量其折射率将需要大量时间和金钱。因此，提出一种具有估算各种类型DES折射率的能力的全局模型至关重要。在这项研究中，目标是开发一个准确，全局，简单且易于使用的模型，以估计大量具有不同性质的DES的折射率。考虑到这一想法，收集了一个大型的DES最新数据库，其中包括来自153个不同DES的1203个数据点，以开发模型。建议的模型需要临界压力，分子量，和偏心因数作为输入参数。这些参数是通过建议的程序计算的。因此，实质上，要使用的折射率模型不需要任何实验数据。对于所研究的所有DES，所提出模型的总体绝对平均相对偏差AARD％为1.03％，这表明DES的折射率估算具有很高的准确性和通用性。

更新日期：2020-08-14

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