Physicochemical Properties and Investigation of Azole-Based Deep Eutectic Solvents as Efficient and Reversible SO<sub>2</sub> Absorbents

Deng, Dongshun; Liu, Xiaobang; Gao, Bao Hong

doi:10.1021/acs.iecr.7b02478

Cited by 99 publications

(76 citation statements)

References 47 publications

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“…Deng et al 28 prepared several DESs using Tri and ChCl to capture SO2. The DES of ChCl and Tri with a mole ratio of 1 : 3 can absorb 0.33% SO2 with an absorption capacity of 0.116 g•g −1 at 30 °C.…”

Section: Absorption Of Acidic Gases 411 So2 Absorptionmentioning

confidence: 99%

Deep Eutectic Solvents: Green Solvents for Separation Applications

Hou¹,

太原师范学院化学系²,

Yao³

et al. 2018

Acta Physico-Chimica Sinica

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Deep eutectic solvents (DESs) are regarded as a new class of green solvents because of their unique properties such as easy synthesis, low cost, environmental friendliness, low volatility, high dissolution power, high biodegradability, and feasibility of structural design. DESs have been widely applied for the separation of mixtures as alternatives to conventional solvents. A DES usually consists of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA). HBAs include amides, thiourea, amines, imidazole, azole, alcohols, acids and phenol. HBAs include quaternary ammonium salts, quaternary phosphonium salts, imidazolium-based salts, dication based salts, inner salts, and molecular imidazole and its analogues. Therefore, there are numerous DESs available for use in different applications. With an in-depth understanding of the common and novel properties of DESs, researchers have prepared and applied DESs to various types of separations. We first introduce the composition of DESs, including various HBDs and HBAs frequently used in the literature. Second, the properties of DESs, including phase diagrams, melting points, density, viscosity, and conductivity, are summarized. Third, recent applications of DESs in the separation of mixtures are reviewed, including the absorption of acidic gases (CO2, SO2 and H2S), the extraction of bioactive compounds, extraction of sulfur-and nitrogen-containing compounds from fuel oils, extraction of phenolic compounds from oils, separation of mixtures of aromatic and aliphatic compounds, separation of alcohol and water mixtures, removal of glycerol from biodiesel, separation of alcohol and ester mixtures, removal of radioactive nuclear contaminants, and separation of isomer mixtures of benzene carboxylic acids. DESs are used in two ways for the separation of mixtures. (1) A DES prepared in advance is used as a solvent to separate a component from a mixture by selective dissolution or absorption of specific compound(s), such as the absorption of SO2 using betaine+ethylene glycol DES. Here, DESs are used like traditional solvents. (2) A DES is formed in situ during the separation of mixtures by adding a HBA to a mixture containing one or more HBDs, such as the removal of phenol from an oil mixture using choline chloride, where a phenol+choline chloride DES is formed during the separation process and the formed DES does not dissolve in the oil phase. Although various DESs have been broadly developed for the separation of mixtures, research continues in the field of DESs, including analysis of the physicochemical properties of DES, especially during extraction or absorption, development of functional DESs for high-efficiency separations, development of efficient methods to regenerate DESs, and combined use of DESs with other techniques to improve separation processes. This article describes general trends in the development of DESs for separation and evaluates the problematic or challenging aspects of DESs in the separation of mixtures.

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Section: Absorption Of Acidic Gases 411 So2 Absorptionmentioning

confidence: 99%

Deep Eutectic Solvents: Green Solvents for Separation Applications

Hou¹,

太原师范学院化学系²,

Yao³

et al. 2018

Acta Physico-Chimica Sinica

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“…To date, DESs have been extensively studied for the absorption of CO 2 and SO 2 . In most cases, the studied DESs act as physical solvents for gases.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic and molecular insights into the absorption of H₂S, CO₂, and CH₄ in choline chloride plus urea mixtures

et al. 2019

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Deep eutectic solvents (DESs) are a class of promising media for gas separation. In order to examine the potential application of DESs for natural gas upgrading, the solubilities of H2S, CO2, and CH4 in choline chloride (ChCl) plus urea mixtures were measured in this work. The solubility data were correlated with Henry's law equation to calculate the thermodynamic properties of gas absorption processes, such as Henry's constants and enthalpy changes. Grand‐canonical Monte Carlo simulations and quantum chemistry calculations were also performed to examine the mechanism of gas absorption processes. It is found that the absorption of H2S in ChCl + urea mixtures is governed by the hydrogen‐bond interaction between Cl of ChCl and H of H2S, whereas the absorption of CO2 and CH4 in ChCl+urea mixtures is governed by the free volume of solvents. Based on the different behavior of gas absorption, high H2S/CO2, H2S/CH4, and CO2/CH4 selectivities can be achieved by adjusting the ratio of ChCl/urea in mixtures.

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“…The synthesis of DES via low-cost sources including natural HBA and HBD, predictable and almost null toxicity and total biodegradability have made both industry and academia consider DES as alternative solvents for gas capture and separation processes in within the green chemistry framework. Having said that, in recent years there has been increasing interest in the utilization of DES for gas capture especially on CO 2 capture and separation [37,38,39,40,41] however there are only a handful of studies that deal with the nature of the interaction between DES and SO 2 [14,20,21,22,42,43,44,45,46,47,48,49,50]. Most of the available few studies are in experimental basis and simply deal with determination of SO 2 solubility at low pressures in select DES systems [51].…”

Section: Introductionmentioning

confidence: 99%

Quantum Chemistry Insight into the Interactions Between Deep Eutectic Solvents and SO2

Altamash

Aparício

2019

Molecules

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A systematic research work on the rational design of task specific Deep Eutectic Solvents (DES) has been carried out via density functional theory (DFT) in order to increase knowledge on the key interaction parameters related to efficient SO2 capture by DES at a molecular level. A total of 11 different DES structures, for which high SO2 affinity and solubility is expected, have been selected in this work. SO2 interactions in selected DES were investigated in detail through DFT simulations and this work has generated a valuable set of information about required factors at the molecular level to provide high SO2 solubility in DES, which is crucial for enhancing the current efficiency of the SO2 capture process and replacing the current state of the art with environmentally friendly solvents and eventually implementing these materials in the chemical industry. Results that were obtained from DFT calculations were used to deduce the details of the type and the intensity of the interaction between DES and SO2 molecules at various interaction sites as well as to quantify short-range interactions by using various methods such as quantum theory of atoms in a molecule (QTAIM), electrostatic potentials (ESP) and reduced density gradients (RDG). Systematic research on the molecular interaction characterization between DES structures and SO2 molecule increases our knowledge on the rational design of task-specific DES.

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Physicochemical Properties and Investigation of Azole-Based Deep Eutectic Solvents as Efficient and Reversible SO₂ Absorbents

Cited by 99 publications

References 47 publications

Deep Eutectic Solvents: Green Solvents for Separation Applications

Deep Eutectic Solvents: Green Solvents for Separation Applications

Thermodynamic and molecular insights into the absorption of H₂S, CO₂, and CH₄ in choline chloride plus urea mixtures

Quantum Chemistry Insight into the Interactions Between Deep Eutectic Solvents and SO2

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Physicochemical Properties and Investigation of Azole-Based Deep Eutectic Solvents as Efficient and Reversible SO2 Absorbents

Cited by 99 publications

References 47 publications

Deep Eutectic Solvents: Green Solvents for Separation Applications

Deep Eutectic Solvents: Green Solvents for Separation Applications

Thermodynamic and molecular insights into the absorption of H2S, CO2, and CH4 in choline chloride plus urea mixtures

Quantum Chemistry Insight into the Interactions Between Deep Eutectic Solvents and SO2

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Physicochemical Properties and Investigation of Azole-Based Deep Eutectic Solvents as Efficient and Reversible SO₂ Absorbents

Thermodynamic and molecular insights into the absorption of H₂S, CO₂, and CH₄ in choline chloride plus urea mixtures