Efficient Absorption of SO<sub>2</sub> by EmimCl-EG Deep Eutectic Solvents

Yang, Dezhong; Han, Yanling; Qi, Hongbin; Wang, Yingbin; Dai, Sheng

doi:10.1021/acssuschemeng.7b01554

Cited by 88 publications

(73 citation statements)

References 41 publications

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“…Candidates for SO 2 capture solvents were determined after screening the available literature and shortlisting the most potential candidates for this task. After going through the literature [14,43,51,52,53], choline chloride (ChCl), 1-Butyl-3-methylimidazolium chloride (Bmim) and 1-Ethyl-3-methylimidazolium chloride (Emim) were selected as HBA and acetamide (Ac), citric acid (Ca), ethylene glycol (Eg), fructose (Ft), glycerol (Gy), lactic acid (La), levulinic acid (Lv), malic acid (Ma), phenylacetic acid (Pa) were selected as HBD. The selection of HBA was done based on the established know-how in literature as well as based on our previous studies.…”

Section: Methodsmentioning

confidence: 99%

“…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%

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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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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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

Altamash

Aparício

2019

Molecules

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“…Till now, no studies have been in the literature published regarding the use of DESs as absorbents to remove volatile organosulfur compounds from the biogas stream. The studies presented in the literature are limited to the removal of inorganic compounds, i.e., H 2 O, CO 2 , H 2 S, and NH 3 from gaseous phases [35][36][37]. Only a few works refer to their use to remove volatile organic compounds from the gas phase [38,39].…”

Section: Vscsmentioning

confidence: 99%

Absorptive Desulfurization of Model Biogas Stream Using Choline Chloride-Based Deep Eutectic Solvents

Słupek

Makoś

2020

Sustainability

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The paper presents a synthesis of deep eutectic solvents (DESs) based on choline chloride (ChCl) as hydrogen bond acceptor and phenol (Ph), glycol ethylene (EG), and levulinic acid (Lev) as hydrogen bond donors in 1:2 molar ratio. DESs were successfully used as absorption solvents for removal of dimethyl disulfide (DMDS) from model biogas steam. Several parameters affecting the absorption capacity and absorption rate have been optimized including kinds of DES, temperature, the volume of absorbent, model biogas flow rate, and initial concentration of DMDS. Furthermore, reusability and regeneration of DESs by means of adsorption and nitrogen barbotage followed by the mechanism of absorptive desulfurization by means of density functional theory (DFT) as well as FT-IR analysis were investigated. Experimental results indicate that the most promising DES for biogas purification is ChCl:Ph, due to high absorption capacity, relatively long absorption rate, and easy regeneration. The research on the absorption mechanism revealed that van der Waal interaction is the main driving force for DMDS removal from model biogas.

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“…Dai et al 24 synthesized DESs formed by 1-ethyl-3-methylimidazolium chloride (EMIMCl) and EG with different mole ratios and used them to capture SO2. The results indicated that the SO2 absorption capacity increased with the content of EMIMCl, and the DES with EMIMCl : EG mole ratio of 2 : 1 could capture 1.15 g•g −1 at 20 °C and 0.1 MPa of SO2.…”

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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Efficient Absorption of SO₂ by EmimCl-EG Deep Eutectic Solvents

Cited by 88 publications

References 41 publications

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

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

Absorptive Desulfurization of Model Biogas Stream Using Choline Chloride-Based Deep Eutectic Solvents

Deep Eutectic Solvents: Green Solvents for Separation Applications

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Efficient Absorption of SO2 by EmimCl-EG Deep Eutectic Solvents

Cited by 88 publications

References 41 publications

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

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

Absorptive Desulfurization of Model Biogas Stream Using Choline Chloride-Based Deep Eutectic Solvents

Deep Eutectic Solvents: Green Solvents for Separation Applications

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Efficient Absorption of SO₂ by EmimCl-EG Deep Eutectic Solvents