New levulinic acid-based deep eutectic solvents: Synthesis and physicochemical property determination

Li, Guobing�; Jiang, Yaotai; Liu, Xiaobang; Deng, Dongshun

doi:10.1016/j.molliq.2016.07.039

Cited by 69 publications

(29 citation statements)

References 40 publications

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“…Furthermore, some of the thermodynamic parameters of absorbent can be obtained from density of absorbents, including the coefficient of thermal expansion ( α ), molecular volume ( V M ), and standard entropy ( S θ ), where the value of α was obtained by fitting the experimental data of ln ρ to T according to Equations () and () 30,31 . The fitted curves are shown in Figure 2A, where A 0 and A 1 are fitting parameters.

\ln ρ ((), normalg \cdot {cm}^{3}) goodbreak= A_{0} goodbreak+ A_{1} T ((), K) .

α goodbreak= goodbreak- ((), \frac{\partial \ln ρ}{\partial T}) p goodbreak= goodbreak- A_{1} .

In addition, the parameter of V M and S θ at 298.2 K could be calculated by Equations () and () 6,32 :

V_{M} goodbreak= M / ((), N_{A} \cdot ρ),

S^{θ} goodbreak= 1246.5 V_{M} goodbreak+ 29.5,

where M is the molar mass in g mol −1 , and N A is the Avogadro's constant. All calculated parameters are listed in Table 1.…”

Section: Resultsmentioning

confidence: 99%

Effective absorption of SO₂ by imidazole‐based protic ionic liquids with multiple active sites: Thermodynamic and mechanical studies

et al. 2022

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In view of the environmental hazards caused by SO2, the development of efficient SO2 capture technology has important practical significance. In this work, a low‐viscosity protic ionic liquids containing imidazole (Im), ether linkage, and tertiary amine structure was synthesized by acid–base neutralization of tris(3,6‐dioxaheptyl)amine (TMEA) and Im for SO2 absorption. The results showed that the solubility of SO2 in [TMEA][Im] reached 12.754 mol kg−1 at 298.2 K and 1 bar and the ideal selectivity of SO2/CO2 (1/1) is 141.7 at 1 bar. Furthermore, [TMEA][Im] can be reused and the SO2 absorption performance was not significantly reduced after five cycles. In addition, the absorption of low‐concentration SO2 (2000 ppm) in [TMEA][Im] was also tested. Further spectroscopic research and thermodynamic analysis suggested that the high SO2 uptake by [TMEA][Im] was caused by the synergistic effect of physical and chemical absorption.

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\ln ρ ((), normalg \cdot {cm}^{3}) goodbreak= A_{0} goodbreak+ A_{1} T ((), K) .

α goodbreak= goodbreak- ((), \frac{\partial \ln ρ}{\partial T}) p goodbreak= goodbreak- A_{1} .

In addition, the parameter of V M and S θ at 298.2 K could be calculated by Equations () and () 6,32 :

V_{M} goodbreak= M / ((), N_{A} \cdot ρ),

S^{θ} goodbreak= 1246.5 V_{M} goodbreak+ 29.5,

where M is the molar mass in g mol −1 , and N A is the Avogadro's constant. All calculated parameters are listed in Table 1.…”

Section: Resultsmentioning

confidence: 99%

Effective absorption of SO₂ by imidazole‐based protic ionic liquids with multiple active sites: Thermodynamic and mechanical studies

et al. 2022

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“…As the DESs based on choline chloride and carboxylic acids are liquid and of extremely low volatility, low reaction temperatures are possible that opens the door for energy-efficient processes. These DESs further have a comparably low viscosity (Zhao et al, 2015; Li et al, 2016).…”

Section: Resultsmentioning

confidence: 99%

“…From this it is evident that there is no significant correlation between the molar ratio within the DESs and the HMF yield. Also the viscosities of the pure DESs ChCl:LA 1:3 [viscosity about 134 mPas (Li et al, 2016)] and ChCl:LA 1:2 [viscosity about 119 mPas (Zhao et al, 2015)] are very similar and mass-transport limitations are not expected to have a major influence. As the differences in viscosity and HMF yield as well as in kinetics are not very pronounced, a molar ratio of 1:2 was chosen as DES solvent for the following experiments.…”

Section: Resultsmentioning

confidence: 99%

Catalytic Low-Temperature Dehydration of Fructose to 5-Hydroxymethylfurfural Using Acidic Deep Eutectic Solvents and Polyoxometalate Catalysts

2019

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HMF synthesis typically requires high temperature and is carried out in aqueous solutions. In this work, the low-temperature dehydration of fructose to HMF in different deep eutectic solvents (DES) was investigated. We found a very active and selective reaction system consisting of the DES tetraethyl ammonium chloride as hydrogen bond acceptor (HBA) and levulinic acid as hydrogen bond donor (HBD) in a molar ratio of 1:2 leading to a maximum HMF yield of 68% after 120 h at 323 K. The DES still contained a low amount of water at the initial reaction, and water was also produced during the reaction. Considering the DES properties, neither the molar ratio in the DES nor the reaction temperature had a significant influence on the overall performance of the reaction system. However, the nature of the HBA as well as the acidity of the HBD play an important role for the maximum achievable HMF yield. This was validated by measured yields in a DES with different combinations of HBD (levulinic acid and lactic acid) and HBA (choline chloride and tetra-n-alkyl ammonium chlorides). Moreover, addition of vanadium containing catalysts, especially the polyoxometalate HPA-5 (H8PV5Mo7O40) leads to drastically increased reaction kinetics. Using HPA-5 and the DES tetraethyl ammonium chloride—levulinic acid we could reach a maximum HMF yield of 57% after only 5 h reaction time without decreasing the very high product selectivity.

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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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New levulinic acid-based deep eutectic solvents: Synthesis and physicochemical property determination

Cited by 69 publications

References 40 publications

Effective absorption of SO₂ by imidazole‐based protic ionic liquids with multiple active sites: Thermodynamic and mechanical studies

Effective absorption of SO₂ by imidazole‐based protic ionic liquids with multiple active sites: Thermodynamic and mechanical studies

Catalytic Low-Temperature Dehydration of Fructose to 5-Hydroxymethylfurfural Using Acidic Deep Eutectic Solvents and Polyoxometalate Catalysts

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

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New levulinic acid-based deep eutectic solvents: Synthesis and physicochemical property determination

Cited by 69 publications

References 40 publications

Effective absorption of SO2 by imidazole‐based protic ionic liquids with multiple active sites: Thermodynamic and mechanical studies

Effective absorption of SO2 by imidazole‐based protic ionic liquids with multiple active sites: Thermodynamic and mechanical studies

Catalytic Low-Temperature Dehydration of Fructose to 5-Hydroxymethylfurfural Using Acidic Deep Eutectic Solvents and Polyoxometalate Catalysts

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

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Effective absorption of SO₂ by imidazole‐based protic ionic liquids with multiple active sites: Thermodynamic and mechanical studies

Effective absorption of SO₂ by imidazole‐based protic ionic liquids with multiple active sites: Thermodynamic and mechanical studies