Issue 23, 2020

Predicting the density and viscosity of hydrophobic eutectic solvents: towards the development of sustainable solvents

Abstract

The interest in green and sustainable solvents has been dramatically increasing in recent years because of the growing awareness of the impact of classical organic solvents on environmental pollution and human health. As a solution to these issues, several greener and more sustainable solvents have been proposed in recent years such as the novel Hydrophobic Eutectic Solvents (HESs). HESs have many advantageous characteristics and could be considered as a potential replacement for both ionic liquids and classical solvents. However, choosing the right HES with the required physiochemical properties for a certain application is an extremely difficult task, especially since large-scale experimental measurements are expensive and time-consuming. Thus, the development of predictive models capable of estimating the properties of these solvents could be considered as a powerful tool in screening new green and sustainable HESs. This work presents two novel Quantitative Structure–Property Relationship (QSPR) models for predicting the density and viscosity of HESs using Conductor-like Screening Model for Real Solvents (COSMO-RS) based descriptors. The data set used includes all the experimental measurements reported in the literature up to the date of writing this work to ensure that the developed models are highly reliable and robust. The results show that the proposed models were excellent at predicting the properties of HES not included in the training set as R2 values of 0.9956 and 0.9871 were obtained for density and viscosity, respectively. This work presents an initiative towards the development of reliable models for predicting the properties of HESs as a means to promote an efficient solvent design approach that can aid in designing and simulating new processes utilizing these novel HESs.

Graphical abstract: Predicting the density and viscosity of hydrophobic eutectic solvents: towards the development of sustainable solvents

Supplementary files

Article information

Article type
Paper
Submitted
10 ሴፕቴ 2020
Accepted
02 ኖቬም 2020
First published
12 ኖቬም 2020

Green Chem., 2020,22, 8511-8530

Predicting the density and viscosity of hydrophobic eutectic solvents: towards the development of sustainable solvents

T. Lemaoui, A. S. Darwish, A. Attoui, F. Abu Hatab, N. E. H. Hammoudi, Y. Benguerba, L. F. Vega and I. M. Alnashef, Green Chem., 2020, 22, 8511 DOI: 10.1039/D0GC03077E

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements