A high correlate and simplified QSPR for viscosity of imidazolium-based ionic liquids

Bor Kuan Chen, Ming Jyh Liang, Tzi Yi Wu, Hong-Paul Wang

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

Viscosity is an important physical property of ionic liquids (ILs). The viscosities of ILs are relatively high, when compared to those of common organic solvents. It is known that the viscosities of ILs vary widely depending on the type of cation and anion present. A high correlate and simplified quantitative structure-property relationships (QSPR) would offer a prediction possibility of viscosity for the design of new ILs. This study aimed to develop a simplified prediction model for viscosity of imidazolium-based ILs using QSPR coupled with the descriptors of group contribution. Considering temperature, molecular weight, and the number of the branched-chain carbon atoms in the imidazole ring, we formulated a mathematical relationship between the viscosity of imidazolium-based ILs and the descriptive parameters of anions and cations. The importance of molecular weight on the viscosity of imidazolium-based ILs was reflected in our group contribution method QSPR as a novel parameter. The correlation coefficient between the reported literature values and the predicted values of viscosity was R2=0.9888. By performing QSPR, we hope to accelerate the development process of new imidazolium-based ILs with desired viscosity.

Original languageEnglish
Pages (from-to)37-42
Number of pages6
JournalFluid Phase Equilibria
Volume350
DOIs
Publication statusPublished - 2013 Jul 5

Fingerprint

Ionic Liquids
Ionic liquids
Viscosity
viscosity
liquids
Anions
Cations
molecular weight
Negative ions
Positive ions
Molecular weight
anions
cations
predictions
imidazoles
correlation coefficients
Organic solvents
Carbon
Physical properties
physical properties

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Physical and Theoretical Chemistry
  • Physics and Astronomy(all)

Cite this

Chen, Bor Kuan ; Liang, Ming Jyh ; Wu, Tzi Yi ; Wang, Hong-Paul. / A high correlate and simplified QSPR for viscosity of imidazolium-based ionic liquids. In: Fluid Phase Equilibria. 2013 ; Vol. 350. pp. 37-42.
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A high correlate and simplified QSPR for viscosity of imidazolium-based ionic liquids. / Chen, Bor Kuan; Liang, Ming Jyh; Wu, Tzi Yi; Wang, Hong-Paul.

In: Fluid Phase Equilibria, Vol. 350, 05.07.2013, p. 37-42.

Research output: Contribution to journalArticle

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