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A Global Model for the Estimation of Speeds of Sound in Deep Eutectic Solvents
- 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
- Subjects :
- Work (thermodynamics)
Sound velocity
Relative standard deviation
Pharmaceutical Science
02 engineering and technology
Global model
Article
Analytical Chemistry
Physical property
lcsh:QD241-441
020401 chemical engineering
lcsh:Organic chemistry
Speed of sound
Drug Discovery
Statistical physics
0204 chemical engineering
Physical and Theoretical Chemistry
physical property
Mathematics
Eutectic system
Organic Chemistry
Modeling
Green Chemistry Technology
modeling
Models, Theoretical
021001 nanoscience & nanotechnology
Green solvent
green solvent
Correlation
Deep Eutectic Systems
Chemistry (miscellaneous)
correlation
Solvents
Molecular Medicine
sound velocity
0210 nano-technology
Algorithms
Subjects
Details
- Language :
- English
- ISSN :
- 14203049
- Volume :
- 25
- Issue :
- 1626
- Database :
- OpenAIRE
- Journal :
- Molecules
- Accession number :
- edsair.doi.dedup.....ef4fb2a1023efcfb3fa7f7b2a57f9671