Physical properties of seven deep eutectic solvents based on l-proline or betaine

Sánchez, Pablo; González, Begoña; Salgado, Juan José; Parajó, Juan José; Domínguez, Ángeles

doi:10.1016/j.jct.2018.12.017

Cited by 78 publications

(43 citation statements)

References 38 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Starting from the knowledge acquired on the structure/activity experience in this topic [5,[34][35][36], a correlation between the observed results with the strength of the binding of the L-proline in the DESs with the HBD counterpart and with the structural features of the liquids obtained was performed using NMR and DFT studies. Glycerol/L-Proline and p-toluenesulfonic acid • H2O/L-Proline mixtures were used and analysed to compare the results obtained with the novel CDESs with the already reported liquids with L-proline as HBA [37][38][39].…”

Section: Introductionmentioning

confidence: 99%

Assessment of the organocatalytic activity of chiral l-Proline-based Deep Eutectic Solvents based on their structural features

Tiecco

Alonso

Ñíguez

et al. 2020

Journal of Molecular Liquids

View full text Add to dashboard Cite

Section: Introductionmentioning

confidence: 99%

Assessment of the organocatalytic activity of chiral l-Proline-based Deep Eutectic Solvents based on their structural features

Tiecco

Alonso

Ñíguez

et al. 2020

Journal of Molecular Liquids

View full text Add to dashboard Cite

“…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

View full text Add to dashboard Cite

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.

show abstract

“…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%

“…Therefore, research on DESs is steeply on the rise, and the rate at which basic knowledge will become available on the physical properties of DESs will probably lag behind the introduction of the numerous upcoming DESs. This problem is actually an obstacle to the industrial use of DESs [21,22].…”

Section: Introductionmentioning

confidence: 99%

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

et al. 2020

View full text Add to dashboard Cite

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.

show abstract

Physical properties of seven deep eutectic solvents based on l-proline or betaine

Cited by 78 publications

References 38 publications

Assessment of the organocatalytic activity of chiral l-Proline-based Deep Eutectic Solvents based on their structural features

Assessment of the organocatalytic activity of chiral l-Proline-based Deep Eutectic Solvents based on their structural features

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

Contact Info

Product

Resources

About