Physical Properties of the Pure Deep Eutectic Solvent, [ChCl]:[Lev] (1:2) DES, and Its Binary Mixtures with Alcohols

Sas, Olalla G.; Fidalgo, Ruben; Domínguez, Irene; Macedo, Eugénia A.; González, Begoña

doi:10.1021/acs.jced.6b00563

Cited by 59 publications

(24 citation statements)

References 24 publications

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“…In order to develop the GC and AC models, the most up-to-date databanks of various types of DESs were collected from the literature. The databanks involved 1239 data points from 149 DESs for density 35 – 66 , 1117 data points from 142 DESs for refractive index 11 , 39 , 41 – 43 , 47 , 50 , 54 , 57 , 59 , 63 , 64 , 67 – 87 , 461 data points from 24 DESs for heat capacity 59 , 70 , 88 – 93 , 398 data points from 37 DESs for speed of sound 42 , 43 , 67 , 72 , 75 , 77 , 82 , 94 – 100 and 538 data points from 98 DESs for surface tension 47 , 63 , 71 , 80 , 86 , 87 , 101 – 116 . All of the data were at atmospheric pressure.…”

Section: Methodsmentioning

confidence: 99%

Group contribution and atomic contribution models for the prediction of various physical properties of deep eutectic solvents

Haghbakhsh

Raeissi

Duarte

2021

Sci Rep

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The urgency of advancing green chemistry from labs and computers into the industries is well-known. The Deep Eutectic Solvents (DESs) are a promising category of novel green solvents which simultaneously have the best advantages of liquids and solids. Furthermore, they can be designed or engineered to have the characteristics desired for a given application. However, since they are rather new, there are no general models available to predict the properties of DESs without requiring other properties as input. This is particularly a setback when screening is required for feasibility studies, since a vast number of DESs are envisioned. For the first time, this study presents five group contribution (GC) and five atomic contribution (AC) models for densities, refractive indices, heat capacities, speeds of sound, and surface tensions of DESs. The models, developed using the most up-to-date databank of various types of DESs, simply decompose the molecular structure into a number of predefined groups or atoms. The resulting AARD% of densities, refractive indices, heat capacities, speeds of sound and surface tensions were, respectively, 1.44, 0.37, 3.26, 1.62, and 7.59% for the GC models, and 2.49, 1.03, 9.93, 4.52 and 7.80% for the AC models. Perhaps, even more importantly for designer solvents, is the predictive capability of the models, which was also shown to be highly reliable. Accordingly, very simple, yet highly accurate models are provided that are global for DESs and needless of any physical property information, making them useful predictive tools for a category of green solvents, which is only starting to show its potentials in green technology.

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Section: Methodsmentioning

confidence: 99%

Group contribution and atomic contribution models for the prediction of various physical properties of deep eutectic solvents

Haghbakhsh

Raeissi

Duarte

2021

Sci Rep

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“…In this work, 420 speed of sound data were collected from literature references, covering 39 different DESs [21,[30][31][32][33][34][35][36][37][38][39][40][41][42]. Table 1 lists these 39 DESs, including their corresponding HBAs, HBDs and molar ratios.…”

Section: Selected Deep Eutectic Solvents (Dess) and Experimental Datamentioning

confidence: 99%

A Global Model for the Estimation of Speeds of Sound in Deep Eutectic Solvents

et al. 2020

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Deep eutectic solvents (DESs) are newly introduced green solvents that have attracted much attention regarding fundamentals and applications. Of the problems along the way of replacing a common solvent by a DES, is the lack of information on the thermophysical properties of DESs. This is even more accentuated by considering the dramatically growing number of DESs, being made by the combination of vast numbers of the constituting substances, and at their various molar ratios. The speed of sound is among the properties that can be used to estimate other important thermodynamic properties. In this work, a global and accurate model is proposed and used to estimate the speed of sound in 39 different DESs. This is the first general speed of sound model for DESs. The model does not require any thermodynamic properties other than the critical properties of the DESs, which are themselves calculated by group contribution methods, and in doing so, make the proposed method entirely independent of any experimental data as input. The results indicated that the average absolute relative deviation percentages (AARD%) of this model for 420 experimental data is only 5.4%. Accordingly, based on the achieved results, the proposed model can be used to predict the speeds of sound of DESs.

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“…Research on viscosity and conductivity of DESs is also inevitable. Sas et al [35] measured the viscosity of DES formed with ChCl and levulinic acid, and it was found that the viscosity of DES obeyed the Arrhenius equation. Moreover, the conductivity of DES was related to its viscosity.…”

Section: Deep Eutectic Solventmentioning

confidence: 99%

Processing of Functional Composite Resins Using Deep Eutectic Solvent

Xue¹,

Wang²,

Feng³

et al. 2020

Crystals

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Deep eutectic solvents (DESs)—a promising class of alternatives to conventional ionic liquids (ILs) that have freezing points lower than the individual components—are typically formed from two or more components through hydrogen bond interactions. Due to the remarkable advantages of biocompatibility, economical feasibility and environmental hospitality, DESs show great potentials for green production and manufacturing. In terms of the processing of functional composite resins, DESs have been applied for property modifications, recyclability enhancement and functionality endowment. In this review, the applications of DESs in the processing of multiple functional composite resins such as epoxy, phenolic, acrylic, polyester and imprinted resins, are covered. Functional composite resins processed with DESs have attracted much attention of researchers in both academic and industrial communities. The tailored properties of DESs for the design of functional composite resins—as well as the effects of hydrogen bond on the current polymeric systems—are highlighted. In addition to the review of current works, the future perspectives of applying DESs in the processing of functional composite resins are also presented.

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Physical Properties of the Pure Deep Eutectic Solvent, [ChCl]:[Lev] (1:2) DES, and Its Binary Mixtures with Alcohols

Cited by 59 publications

References 24 publications

Group contribution and atomic contribution models for the prediction of various physical properties of deep eutectic solvents

Group contribution and atomic contribution models for the prediction of various physical properties of deep eutectic solvents

A Global Model for the Estimation of Speeds of Sound in Deep Eutectic Solvents

Processing of Functional Composite Resins Using Deep Eutectic Solvent

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