Prediction and correlation of viscosity of binary mixtures of ionic liquids with organic solvents

Bajić, Divna M.; Šerbanović, Slobodan P.; Živković, Emila M.; Jovanović, Jovan

doi:10.1016/j.molliq.2014.04.005

Cited by 31 publications

(45 citation statements)

References 20 publications

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“…This model is rational only when the molecular volumes of two substances are very close. But for size-asymmetric mixtures containing small and large molecules, as happen in the mixtures of organic solvents with ionic liquids, generally more complicated multi-parameter equations should be considered [4,6,7,42].…”

Section: Viscosity Modellingmentioning

confidence: 99%

Viscosity of binary mixtures of 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid with four organic solvents

Ciocîrlan

Croitoru

Iulian

2016

The Journal of Chemical Thermodynamics

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Section: Viscosity Modellingmentioning

confidence: 99%

Viscosity of binary mixtures of 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid with four organic solvents

Ciocîrlan

Croitoru

Iulian

2016

The Journal of Chemical Thermodynamics

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“…[8], Eyring-Flory-Huggins [7], and Eyring-Wilson models [13]; and (iii) predictive methods, for example, UNIFAC-VISCO [6] and ASOG-VISCO models [6].…”

Section: Introductionmentioning

confidence: 99%

“…The authors highlighted that a better evaluation of the viscosity could be achieved by using the Eyring-UNIQUAC (RAAD% of 2.6%) than by using Eyring-NRTL (RAAD% of 3.5%). Bajić et al [6] [7] proposed a method based on the Eyring's absolute reaction rate theory, which was coupled with the Flory-Huggins equation, to estimate the viscosity of 527 binary mixtures including 63 (IL + solvent) mixtures. The RAAD% of the proposed method assessed using 2554 data points of the 63 ionic liquid containing systems is close to 3.73% which shows a better viscosity predictive capability than the Grunberg-Nissan equation ( 4 ] + ethylene glycol, the best result was reported using the Eyring-Flory-Huggins based method with a RAAD% of 1.54%, while the McAllister method also showed a good result with RAAD% of 1.60%.…”

Section: Introductionmentioning

confidence: 99%

“…Two predictive methods, based on the UNIFAC-VISCO and ASOG-VISCO models, respectively were applied for modeling the viscosity of IL-based mixtures [6]. Bajić et al [6] requested to assess properly the quality of the proposed method using novel and original viscosity datasets.…”

Section: Introductionmentioning

confidence: 99%

“…The method used for molecules' cleavage is different from the division method reported by Bajić et al [6]. Each cation or anion, constituting the IL, is defined as an individual group, which is coincident with the method of ionic groups determination for the viscosity estimation of pure ILs and binary ILs mixtures reported in our previous work [14,15].…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

New method based on the UNIFAC-VISCO model for the estimation of dynamic viscosity of (ionic liquid + molecular solvent) binary mixtures

Zhao

Jacquemin

2017

Fluid Phase Equilibria

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Viscosity of heptane-toluene mixtures. Comparison of molecular dynamics and group contribution methods

Velásquez

Hoyos

2017

J Mol Model

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Three methods of molecular dynamics simulation [Green-Kubo (G-K), non-equilibrium molecular dynamics (NEMD) and reversed non-equilibrium molecular dynamics (RNEMD)], and two group contribution methods [UNIFAC-VISCO and Grunberg-Nissan (G-N)] were used to calculate the viscosity of mixtures of n-heptane and toluene (known as heptol). The results obtained for the viscosity and density of heptol were compared with reported experimental data, and the advantages and disadvantages of each method are discussed. Overall, the five methods showed good agreement between calculated and experimental viscosities. In all cases, the deviation was lower than 9%. It was found that, as the concentration of toluene increases, the deviation of the density of the mixture (as calculated with molecular dynamics methods) also increases, which directly affects the viscosity result obtained. Among the molecular simulation techniques evaluated here, G-K produced the best results, and represents the optimal balance between quality of result and time required for simulation. The NEMD method produced acceptable results for the viscosity of the system but required more simulation time as well as the determination of an appropriate shear rate. The RNEMD method was fast and eliminated the need to determine a set of values for shear rate, but introduced large fluctuations in measurements of shear rate and viscosity. The two group contribution methods were accurate and fast when used to calculate viscosity, but require knowledge of the viscosity of the pure compounds, which is a serious limitation for applications in complex multicomponent systems.

show abstract

Prediction and correlation of viscosity of binary mixtures of ionic liquids with organic solvents

Cited by 31 publications

References 20 publications

Viscosity of binary mixtures of 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid with four organic solvents

Viscosity of binary mixtures of 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid with four organic solvents

New method based on the UNIFAC-VISCO model for the estimation of dynamic viscosity of (ionic liquid + molecular solvent) binary mixtures

Viscosity of heptane-toluene mixtures. Comparison of molecular dynamics and group contribution methods

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