Simple and global correlation for the densities of deep eutectic solvents

Reza Haghbakhsh, Roghayeh Bardool, Ali Bakhtyari, Ana Rita C. Duarte, Sona Raeissi

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Deep eutectic solvents (DESs) mostly comply with the principles of green chemistry. Therefore, they are being widely investigated due to their great potential for a variety of applications in the industries. However, it is necessary to have accurate (thermo)-physical property information on any solvent before it can pave its way into the industries. Among such properties, density as a function of temperature is one of the most important. In this study, a simple, accurate and global correlation is proposed to estimate the densities of a large number of DESs of different natures. The proposed model is a function of the critical temperature, critical volume and acentric factor of the DES, as well as the temperature of the system. In this way, the model is capable of accurately predicting the densities of DESs without the need for any reference temperature density data, in contrast to most of the literature models that do require a reference data point. The average relative error for 149 DESs of different natures was estimated to be 3.12% by the proposed model, indicating its accuracy compared to previous models.

Original languageEnglish
Article number111830
JournalJournal of Molecular Liquids
Volume296
DOIs
Publication statusPublished - 15 Dec 2019

Keywords

  • DES
  • Green solvent
  • Molar volume
  • Physical property
  • Specific volume
  • Volumetric property

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