Bulk liquid phase and interfacial behavior of cineole – Based deep eutectic solvents with regard to carbon dioxide

Rozas, Sara; Aparício, Santiago

doi:10.1016/j.molliq.2022.118748

Cited by 6 publications

(8 citation statements)

References 53 publications

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“…34 Interestingly, in cineole-based DESs (303 K, 1 bar), the HBA orients closer to the gas/DES interface, leading to local phase separation and an induced heterogeneity that could affect gas solubility and diffusivity. 32 In all studied systems, the structure of the DES at the gas/DES interface resulted from a reorganization that maximizes gas/DES interactions. 32−34 Liquid/DES Interfacial Structure.…”

Section: ■ Computational Modeling Of Interfacial and Bulk Structure I...mentioning

confidence: 94%

“…In choline chloride:levulinic acid (298–348 K, 0.1 MPa), the choline chloride (HBA) is oriented parallel and farther away from the interface compared to the levulinic acid (HBD), which is oriented perpendicular to the interface and is involved in strong intermolecular interactions with gas molecules . Interestingly, in cineole-based DESs (303 K, 1 bar), the HBA orients closer to the gas/DES interface, leading to local phase separation and an induced heterogeneity that could affect gas solubility and diffusivity . In all studied systems, the structure of the DES at the gas/DES interface resulted from a reorganization that maximizes gas/DES interactions. − …”

Section: Computational Modeling Of Interfacial and Bulk Structure In ...mentioning

confidence: 98%

“…A few computational models of the structure at the gas/DES interface provide beneficial information for gas capture and separation technologies. ,− Aparicio et al noted that the HBDs in choline chloride:2 urea and choline chloride:malonic acid (318 K, 0.1 MPa) are oriented parallel to the gas/DES interface. The HBD in choline chloride:2 glycerol is oriented slightly off parallel, although an exact angle was not provided .…”

Section: Computational Modeling Of Interfacial and Bulk Structure In ...mentioning

confidence: 99%

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Structure of Deep Eutectic Solvents (DESs): What We Know, What We Want to Know, and Why We Need to Know It

Stephens

Smith

2022

Langmuir

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Deep eutectic solvents (DESs) are a tunable class of solvents with many advantageous properties including good thermal stability, facile synthesis, low vapor pressure, and low-to-negligible toxicity. DESs are composed of hydrogen bond donors and acceptors that, when combined, significantly decrease the freezing point of the resulting solvent. DESs have distinct interfacial and bulk structural heterogeneity compared to traditional solvents, in part due to various intramolecular and intermolecular interactions. Many of the physiochemical properties observed for DESs are influenced by structure. However, our understanding of the interfacial and bulk structure of DESs is incomplete. To fully exploit these solvents in a range of applications including catalysis, separations, and electrochemistry, a better understanding of DES structure must be obtained. In this Perspective, we provide an overview of the current knowledge of the interfacial and bulk structure of DESs and suggest future research directions to improve our understanding of this important information.

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Section: ■ Computational Modeling Of Interfacial and Bulk Structure I...mentioning

confidence: 94%

Section: Computational Modeling Of Interfacial and Bulk Structure In ...mentioning

confidence: 98%

Section: Computational Modeling Of Interfacial and Bulk Structure In ...mentioning

confidence: 99%

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Structure of Deep Eutectic Solvents (DESs): What We Know, What We Want to Know, and Why We Need to Know It

Stephens

Smith

2022

Langmuir

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“…This type of solvents can be prepared from diverse compounds in a wide range of possible combinations. Due to the outstanding characteristics, such as low toxicity, negligible vapor pressure, low flammability, safe handling, and low production cost, [3] numerous researches have focused on the applications in various areas including gas capture, [4] biocatalysis, [5] organic synthesis, [6] and extraction processes. [7][8][9] In 2011, Choi et al prepared a series of new DES, named natural deep eutectic solvents (NADES), by mixing natural substances, such as sugars, amino acids, carboxylic acids and choline.…”

Section: Introductionmentioning

confidence: 99%

Natural Eutectic Solvent Mixture of l‐Menthol/Malonic acid (4 : 1) and Its Ibuprofen Solution: Thermal and Physical Characterizations and NMR Studies of Molecular Interaction

et al. 2023

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A eutectic mixture of L-menthol and malonic acid, Me/MA (4 : 1), was characterized by calorimetry and other physical measurements. The new deep eutectic solvent (m.p. 6 °C) solvates 338 mg of ibuprofen per mL, and the solution is stable in a wide temperature range. Strategies of NMR titration used in supramolecular chemistry were employed to explore binding forces between the eutectic constituents as well as solutesolvent interaction in ibuprofen solution. Even in acetonitrile, Me 4 MA is formed through a hydrogen-bonding network, where the constituents act as hydrogen donors and acceptors at the same time. The estimated association constant is around 30 M À 1 ; the binding forces are enough to build the eutectic mixture at high concentrations. The aggregate Me 4 MA forms a molecular complex with ibuprofen in acetonitrile as a result of the cooperative effect of the constituents. In addition, van der Waals interactions are operative between ibuprofen and menthol in the saturated IB-Me/MA (4 : 1) solution.

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“…DES refers to a two or three-component eutectic mixture with a solidification point significantly lower than the melting point of the pure substances of each component, generally below −38–150 °C. − Because of their properties similar to those of ILs, such as low vapor pressure, good stability, and wide liquid range, they are called ILs analogues. , In addition to the advantages of ILs, many DES production materials are natural from economic and environmental perspectives. It has the advantages of low cost, low toxicity, easy synthesis, no purification, structural tenability, and good biodegradability.…”

Section: Introductionmentioning

confidence: 99%

Mechanism Study of Imidazole-Type Deep Eutectic Solvents for Efficient Absorption of CO₂

Shi

Liu

2022

ACS Omega

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Deep eutectic solvents (DESs) are a new class of green solvents that exhibit unique properties in various process applications. In this regard, this study evaluated imidazole-type DESs as solvents for carbon dioxide (CO2) capture. A series of imidazole-type DESs with different ratios was prepared through one-step synthesis. The absorption capacity of CO2 in imidazole-type DESs was measured through weighing, and the effects of temperature, hydrogen bond acceptors, hydrogen bond donors, and water content were discussed. DESs absorbed the effects of CO2. Im-MEA (1:2) was selected to linearly fit lnη and 1/T using the Arrhenius equation under variable temperature conditions, and a good linear relationship was found. The results show the best absorption effect for Im-MEA (1:4). At 303.15 K and 0.1 MPa, the absorption capacity of Im-MEA (1:4) was as high as 0.323 g CO2/g DES; through five times of absorption–desorption after the cycle, the absorption capacity of DES was almost unchanged. Finally, the mechanism of CO2 absorption was studied using Fourier transform infrared and nuclear magnetic resonance spectroscopy. The absorption mechanism of imidazole-type DESs synthesized using imidazole salt and an amine-based solution was chemical absorption, and the reaction formed carbamate (−NHCOO) to absorb CO2.

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Bulk liquid phase and interfacial behavior of cineole – Based deep eutectic solvents with regard to carbon dioxide

Cited by 6 publications

References 53 publications

Structure of Deep Eutectic Solvents (DESs): What We Know, What We Want to Know, and Why We Need to Know It

Structure of Deep Eutectic Solvents (DESs): What We Know, What We Want to Know, and Why We Need to Know It

Natural Eutectic Solvent Mixture of l‐Menthol/Malonic acid (4 : 1) and Its Ibuprofen Solution: Thermal and Physical Characterizations and NMR Studies of Molecular Interaction

Mechanism Study of Imidazole-Type Deep Eutectic Solvents for Efficient Absorption of CO₂

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Bulk liquid phase and interfacial behavior of cineole – Based deep eutectic solvents with regard to carbon dioxide

Cited by 6 publications

References 53 publications

Structure of Deep Eutectic Solvents (DESs): What We Know, What We Want to Know, and Why We Need to Know It

Structure of Deep Eutectic Solvents (DESs): What We Know, What We Want to Know, and Why We Need to Know It

Natural Eutectic Solvent Mixture of l‐Menthol/Malonic acid (4 : 1) and Its Ibuprofen Solution: Thermal and Physical Characterizations and NMR Studies of Molecular Interaction

Mechanism Study of Imidazole-Type Deep Eutectic Solvents for Efficient Absorption of CO2

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Mechanism Study of Imidazole-Type Deep Eutectic Solvents for Efficient Absorption of CO₂