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

Macı́as-Salinas, Ricardo; Pereda-Cruz, Donaldo

doi:10.1016/j.fluid.2023.113849

Cited by 5 publications

(2 citation statements)

References 37 publications

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“…Hence, for each mixture composition (HBA:HBD ratio), the method necessitates a reference viscosity data point to predict the viscosity of that mixture composition. Macías-Salinas and Pereda-Cruz developed a residual-entropy scaling approach to model the viscosity of ChCl-based DESs using a cubic equation of state (EoS) with the volume translation approach. The entropy scaling approach enables accurate predictions of DES viscosity at elevated pressures, relying solely on model parameters previously regressed at atmospheric pressure.…”

Section: Introductionmentioning

confidence: 99%

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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Section: Introductionmentioning

confidence: 99%

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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“…However, this approach requires a priori knowledge of the experimental densities of ILs in order to obtain the best possible superposition of the viscosity data using a power-law scaling potential in terms of temperature and density. To the best of our knowledge, only three modeling attempts have been so far published dealing with the dynamic viscosity of DESs as a function of temperature and pressure. ,, In fact, the very same authors who measured the high-pressure viscosities of three archetypal ChCl-based DESs, namely, Crespo et al, also modeled their own experimental viscosities using the FVT approach coupled with the PC-SAFT EoS. Just recently, Macı́as-Salinas and Pereda-Cruz along with Macı́as-Salinas and Romero-Rueda, reported on two viscosity models for the three aforementioned DESs using the entropy scaling and the friction theory approaches, respectively.…”

Section: Introductionmentioning

confidence: 99%

Modified Free-Volume Theory for the Viscosity Modeling of Ionic Liquids and Deep Eutectic Solvents

Macías-Salinas

2024

Ind. Eng. Chem. Res.

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The present work presents a modification to the free volume theory (FVT) in order to obtain improved representations of the dynamic viscosity of various representative last-generation ionic fluids: pure ionic liquids (ILs) and deep eutectic solvents (DESs). Within the formalism of the current FVT approach, the barrier energy that a molecule must overcome to diffuse is proportional to the density of the fluid. We found that this barrier energy was better expressed in terms of (rather than the density) a cohesive energy between molecules of the ionic fluid, namely, the residual internal energy, which accounts for all the intermolecular forces that oppose to the breaking of bonds, including both ionic and hydrogen bonds, which are typically present in ILs and DESs. In addition, one of the characteristic parameters of the FVT approach is the length parameter, which is usually treated as a constant. However, for the present purposes, it was made density dependent. The thermodynamic potentials (residual internal energy and density) present in the resulting modified FVT model were estimated from two simple cubic equations of state of the van der Waals type: Soave−Redlich−Kwong or Peng−Robinson. The two aforementioned modifications introduced to the FVT approach were successfully verified during the representation of experimental dynamic viscosities of 3 families of imidazoliumbased ILs ([C X mim][BF 4 ], [C X mim][PF 6 ] and [C X mim][Tf 2 N]), one pyridinium-based IL ([b3mpy][BF 4 ]), one pyrrolidiniumbased IL ([bmpyr][Tf 2 N]), and one ammonium-based IL ([N1114][Tf 2 N]) over a temperature range varying from 273.15 to 353.15 K and at pressures from 1 to 3000 bar. We also considered three archetypal choline chloride-based DESs for model validation: reline, ethaline, and glyceline within a temperature range varying from 293.15 to 373.15 K and at pressures from 1 to 1000 bar.

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Predicting the density and viscosity of deep eutectic solvents at atmospheric and elevated pressures

Peng,

Minceva

2024

Fluid Phase Equilibria

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

Cited by 5 publications

References 37 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

Modified Free-Volume Theory for the Viscosity Modeling of Ionic Liquids and Deep Eutectic Solvents

Predicting the density and viscosity of deep eutectic solvents at atmospheric and elevated pressures

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