Modeling the viscosity of binary eutectic systems at different compositions and temperatures

Peng, Daili; Alhadid, Ahmad; Minceva, Mirjana

doi:10.1016/j.molliq.2023.121258

Cited by 10 publications

(8 citation statements)

References 50 publications

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“…According to our previous study, 28 the viscosity of binary eutectic systems can be accurately correlated by the Grunberg−Nissan mixing rule: 44…”

Section: Viscosity Modelingmentioning

confidence: 99%

“…45−50 Nonetheless, these mixing rules offer less precise viscosity predictions for DESs. 28 Consequently, such mixing rules are not taken into consideration in this study.…”

Section: Viscosity Modelingmentioning

confidence: 99%

“…It is worth mentioning that all of the DES viscosity data points in the regression set were used to regress the viscosity of ChCl to ensure that it can be used in different compositions and temperatures. However, when modeling the viscosity of other ChCl-based DESs, as suggested in our previous work, 28 only the viscosity data at the composition close to the equimolar ratio are needed to regress the parameters of the five methods used for calculating G ij (Table 2). Two examples are shown in Figure 3, where the viscosities of ChCl/diethylene glycol and ChCl/o-cresol at different compositions and temperatures are accurately modeled with the G ij parameters of Method 4 regressed from the experimental viscosity data at one system composition only and six different temperatures.…”

Section: Viscosity Modeling For Chcl-based Dessmentioning

confidence: 99%

“…The objective of this work is to extend our previously proposed viscosity modeling method 28 to ChCl-based DESs and their mixtures with water. To estimate the viscosity of pure ChCl, the VFT viscosity model parameters of hypothetical liquid ChCl were regressed using the viscosity data of 17 ChCl containing DESs at different compositions and temperatures with the Grunberg−Nissan mixing rule.…”

Section: Introductionmentioning

confidence: 99%

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Modeling the Viscosity of ChCl-Based Deep Eutectic Solvents and Their Mixtures with Water

Peng,

Yu,

Alhadid

et al. 2024

Ind. Eng. Chem. Res.

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Choline chloride (ChCl)-based deep eutectic solvents (DESs) are emerging as promising environmentally friendly alternatives to conventional organic solvents across various applications. However, their relatively high viscosity necessitates careful assessment before implementation. This work proposes an approach to modeling the viscosity of ChCl-based DESs and their mixtures with water using the Grunberg−Nissan mixing rule. We assumed that the viscosity of the hypothetical liquid ChCl could be calculated by the Vogel−Fulcher−Tammann (VFT) model. The VFT parameters of ChCl were regressed using the viscosity data of 17 ChCl-based DESs at various compositions and temperatures. The obtained VFT parameters of ChCl allowed modeling of the viscosity of eight newly measured DESs and their mixtures with water. Five methods were investigated to calculate the interaction parameter (G ij ) in the Grunberg−Nissan mixing rule. It was found that the temperature-dependent G ij yields better results for modeling the viscosity of ChCl-based DESs, whereas the composition-dependent G ij is more suitable for modeling the viscosity of mixtures of DESs and water. The proposed viscosity modeling approach can significantly reduce the experimental effort required to obtain reliable viscosity estimations for ChCl-based DESs and their mixtures with water.

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“…According to our previous study, 28 the viscosity of binary eutectic systems can be accurately correlated by the Grunberg−Nissan mixing rule: 44…”

Section: Viscosity Modelingmentioning

confidence: 99%

“…45−50 Nonetheless, these mixing rules offer less precise viscosity predictions for DESs. 28 Consequently, such mixing rules are not taken into consideration in this study.…”

Section: Viscosity Modelingmentioning

confidence: 99%

Section: Viscosity Modeling For Chcl-based Dessmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Modeling the Viscosity of ChCl-Based Deep Eutectic Solvents and Their Mixtures with Water

Peng,

Yu,

Alhadid

et al. 2024

Ind. Eng. Chem. Res.

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“…Subsequently, the resulting HBA and HBD viscosities can be incorporated into a mixing rule to estimate the viscosity of the DES. The success of this practice, which was very recently applied by Peng et al 28 to various L-menthol-based DESs, of course depends on the suitability of both the extrapolating correlation and the mixing rules, as well as the availability of experimental viscosities for the solid species above or near their melting points. Now, for a given viscosity model for liquid mixtures and knowing a priori the pure-component model parameters of the HBD, another alternative consists in regressing the pure-component model parameters of the solid species (HBA) using available viscosity data of the DES measured at atmospheric pressure.…”

Section: Modeling Approachmentioning

confidence: 99%

Density and Viscosity Modeling of Three Deep Eutectic Solvents Using a Volume-Shifted Cubic Equation of State Coupled with the Friction Theory

Macías-Salinas,

Romero-Rueda

2023

Ind. Eng. Chem. Res.

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In this work, a three-parameter viscosity model based on the friction theory (FT) and coupled with a cubic equation of state was developed to correlate and predict the dynamic viscosity of deep eutectic solvents (DESs). The present viscosity model was derived from an existing six-parameter FT-based viscosity model, which was previously applied to pure ionic liquids. By focusing on the most dominant dragging forces affecting the viscosity of DESs, we were able to safely reduce the number of model parameters without a significant loss of model accuracy. The use of a volume-shifted cubic EoS (Soave−Redlich−Kwong or Peng−Robinson) served also to obtain improved density estimations of the DESs under study. The resulting modeling approach was successfully validated during the correlation of experimental dynamic viscosities and mass densities of three archetypal DESs (choline chloride-based DESs): reline, ethaline, and glyceline within a temperature range varying from 283.15 to 373.15 K and at pressures from 1 to 1000 bar. The average absolute relative deviations yielded by the present thermodynamic model varied from 0.27 to 0.93% for the density modeling and from 2.25 to 4.29% for the viscosity modeling of the three DESs.

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Entropy scaled viscosities of choline-chloride-based deep eutectic solvents using a cubic EoS with volume translation

Macı́as-Salinas

Pereda-Cruz

2023

Fluid Phase Equilibria

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Modeling the viscosity of binary eutectic systems at different compositions and temperatures

Cited by 10 publications

References 50 publications

Modeling the Viscosity of ChCl-Based Deep Eutectic Solvents and Their Mixtures with Water

Modeling the Viscosity of ChCl-Based Deep Eutectic Solvents and Their Mixtures with Water

Density and Viscosity Modeling of Three Deep Eutectic Solvents Using a Volume-Shifted Cubic Equation of State Coupled with the Friction Theory

Entropy scaled viscosities of choline-chloride-based deep eutectic solvents using a cubic EoS with volume translation

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