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

Authors :
Reza Haghbakhsh
Sona Raeissi
Hamed Peyrovedin
Ana Rita C. Duarte
LAQV@REQUIMTE
DQ - Departamento de Química
Source :
Molecules, Vol 25, Iss 1626, p 1626 (2020), Molecules, Volume 25, Issue 7, Repositório Científico de Acesso Aberto de Portugal, Repositório Científico de Acesso Aberto de Portugal (RCAAP), instacron:RCAAP
Publication Year :
2020
Publisher :
MDPI AG, 2020.

Abstract

ERC-2016-CoG 725,034 UID/QUI/50006/2019 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. publishersversion published

Details

Language :
English
ISSN :
14203049
Volume :
25
Issue :
1626
Database :
OpenAIRE
Journal :
Molecules
Accession number :
edsair.doi.dedup.....ef4fb2a1023efcfb3fa7f7b2a57f9671