Modified Rackett equation for modelling the molar volume of deep eutectic solvents

Farouq S. Mjalli, Kaveh Shahbaz, Inas M. Alnashef

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Abstract Deep eutectic solvents are emerging as potential substitutes for ionic liquids in many chemical and engineering applications. The characterization of physico-chemical properties of these fluids is of high importance for process design and equipment sizing. Despite the few attempts in this area, the huge variety of DES types and structures necessitate the development of models with high prediction quality for calculating their basic physical properties. In this work, molar volume data for common types of DESs was collected as a function of temperature. The Racket model was analyzed and modified to be suitable for DES applications. A modified model was tested and validated with the experimental molar volume DES data. An average percentage deviation of 0.211% was attained. This is about one third the deviation achieved when using the Rackett original model. The newly developed model, can be utilized for predicting molar volume and density in process simulators calculations as well as during the design and operation stages of processes involving the use of DES.

Original languageEnglish
Article number77273
Pages (from-to)185-190
Number of pages6
JournalThermochimica Acta
Volume614
DOIs
Publication statusPublished - Jul 3 2015

Fingerprint

eutectics
Density (specific gravity)
Eutectics
deviation
Ionic Liquids
sizing
Ionic liquids
chemical properties
Chemical properties
simulators
emerging
Process design
Physical properties
physical properties
Simulators
engineering
substitutes
Fluids
fluids
liquids

Keywords

  • Critical temperature
  • Density
  • Eutectic
  • Ionic liquids analogues
  • Molar volume
  • Rackett

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Instrumentation

Cite this

Modified Rackett equation for modelling the molar volume of deep eutectic solvents. / Mjalli, Farouq S.; Shahbaz, Kaveh; Alnashef, Inas M.

In: Thermochimica Acta, Vol. 614, 77273, 03.07.2015, p. 185-190.

Research output: Contribution to journalArticle

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AB - Abstract Deep eutectic solvents are emerging as potential substitutes for ionic liquids in many chemical and engineering applications. The characterization of physico-chemical properties of these fluids is of high importance for process design and equipment sizing. Despite the few attempts in this area, the huge variety of DES types and structures necessitate the development of models with high prediction quality for calculating their basic physical properties. In this work, molar volume data for common types of DESs was collected as a function of temperature. The Racket model was analyzed and modified to be suitable for DES applications. A modified model was tested and validated with the experimental molar volume DES data. An average percentage deviation of 0.211% was attained. This is about one third the deviation achieved when using the Rackett original model. The newly developed model, can be utilized for predicting molar volume and density in process simulators calculations as well as during the design and operation stages of processes involving the use of DES.

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