☆ 4.8 Review

Deep eutectic solvents as a versatile platform toward CO2 capture and utilization

GREEN CHEMISTRY (2023)

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Article Energy & Fuels

One-step supramolecular construction of Lewis pair poly(ionic liquids) for atmospheric CO2 conversion to cyclic carbonates

Yuke Zhang et al.

Summary: This study proposes a one-step strategy to construct Lewis pair heterogeneous catalysts for CO2 conversion through the coordination of amino-functionalized poly(ionic liquid) and metal cations. The strength and ratio of Lewis acidic/basic sites can be tuned by regulating the type/content of metal ions, enabling efficient acid/base cooperation in CO2 cycloaddition. The synergistic effect of M2+, Br-, and C-2 proton on the imidazolium ring activates both CO2 and epoxides, leading to high yields and selectivity of cyclic carbonates under atmospheric pressure and low temperature without cocatalyst.

FUEL (2023)

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Article Energy & Fuels

Experimental and theoretical study on efficient CO2 absorption coordinated by molecules and ions of DBN and 1,2,4-triazole formed deep eutectic solvents

Jiawei Ruan et al.

Summary: This study investigates the interactions between CO2 and underlying molecules and/or ions in deep eutectic solvents (DESs), a new class of designer solvents. The results reveal the proton transfer mechanism and interactions between CO2 and DESs. A two-paths CO2 capture process through synergistic effect of molecules and ions in the DESs is proposed and demonstrated.

FUEL (2023)

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Review Chemistry, Multidisciplinary

History repeats itself again: Will the mistakes of the past for ILs be repeated for DESs? From being considered ionic liquids to becoming their alternative: the unbalanced turn of deep eutectic solvents

J. Afonso et al.

Summary: The establishment of Deep Eutectic Solvents (DESs) as a new class of green solvents was initially based on naive comparisons with Ionic Liquids (ILs), but further research has emphasized the need for a thermodynamic definition and differentiation from other solvents. This perspective review presents experimental and computational data to dispel myths about DESs and make fair comparisons with other solvents, such as ILs, eutectic solvents (ESs), and volatile organic compounds (VOCs). The unique potential of DESs in biopolymer dissolution and treatment is highlighted, along with considerations for recycling and techno-economic aspects.

GREEN CHEMISTRY (2023)

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Article Engineering, Chemical

Aprotic phosphonium-based ionic liquid as electrolyte for high CO2 electroreduction to oxalate

Chongyang Jiang et al.

Summary: In this study, a new CO2 electroreduction electrolyte system consisting of tetrabutylphosphonium 4-(methoxycarbonyl) phenol ([P-4444][4-MF-PhO]) ionic liquid (IL) and acetonitrile (AcN) was designed to produce oxalate. The results show that using this new electrolyte system, the electroreduction system exhibits high Faradaic efficiency and partial current density of oxalate at a specific voltage.

AICHE JOURNAL (2023)

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Article Chemistry, Physical

Efficient fixation of CO2 into cyclic carbonate catalyzed by choline bromide/imidazole derivatives-based deep eutectic solvents

Tian Sheng et al.

Summary: An efficient fixation of CO2 into cyclic carbonate catalyzed by imidazole-based deep eutectic solvents (DESs) was demonstrated. These DESs, composed of Choline Bromide (ChBr) and Imidazole (Im) derivatives, successfully converted various epoxides into cyclic carbonates under solvent-and additive-free conditions. Mechanistic studies revealed that the high catalytic activity of DESs is attributed to the synergistic catalysis between the HBAs and HBDs, with the hydroxyl group being the most active among the characteristic functional groups in the HBAs.

MOLECULAR CATALYSIS (2023)

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Article Engineering, Chemical

Acidic protic ionic liquid-based deep eutectic solvents capturing SO2 with low enthalpy changes

Ping Zhang et al.

Summary: In order to lower energy consumption for gas regeneration, it is scientifically and practically significant to design absorbents with low absorption enthalpy changes and good gas solubility. In this study, acidic protic ionic liquid (APIL)-based deep eutectic solvents (DESs) exhibited high solubility (11.60 mol kg(-1)) and SO2/CO2 selectivity (655) for reversible absorption of SO2 at mild temperature conditions (293.2 K) with very low enthalpy changes (-27.1 to -25.6 kJ mol(-1)). Recycling experiments showed good regeneration performance of [EimH]Cl/EG DESs with no obvious loss in capacity after six absorption-desorption cycles. Spectroscopic analysis revealed charge-transfer interaction between [EimH]Cl/EG and SO2.

AICHE JOURNAL (2023)

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Article Chemistry, Physical

Enhancing CO2 electroreduction to syngas by active protons of imidazolium ionic liquids: From performance to mechanism

Zhaojun Min et al.

Summary: A highly efficient catalytic system for CO2RR to produce syngas is reported using a Ni-foam-supported nano-Ag catalyst in an ionic liquid (IL)-acetonitrile electrolyte. The CO/H2 molar ratio in the syngas can be tuned from 1:5 to 26:1, with high current densities of 363.6, 458.2, and 644.7 mA cm-2 at CO/H2 molar ratios of 1:1, 1:2, and 1:3, respectively. The high efficiency is attributed to the synergistic stabilization action of nano-Ag and IL cationic C4/5-H for intermediate *COO- to produce CO, as well as cationic C2-H contribution to hydrogen evolution. This work opens a new way to improve the catalytic performance of CO2RR to produce syngas.

APPLIED CATALYSIS B-ENVIRONMENTAL (2023)

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Article Chemistry, Physical

One-pot non-covalent heterogenization and aromatization of poly(ionic liquids) for metal-/cocatalyst-free and atmospheric CO2 conversion

Mingyue Qiu et al.

Summary: The intensification of Lewis acidity/basicity of a heterogeneous catalyst at a molecular level is a great challenge for boosting CO2 activation. This work proposes a one-pot strategy for heterogenization and aromatization of homopolymerized ionic liquids (HpolyILs) to enhance CO2 conversion into cyclic carbonates. The resulting dynamic covalent polyILs exhibit superior catalytic activity and recyclability under mild conditions.

APPLIED CATALYSIS B-ENVIRONMENTAL (2023)

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Article Engineering, Environmental

A novel approach based on detailed structural and molar free volume analyses to characteristics of deep eutectic solvents specialized for CO2 absorption

Yunsung Yoo

Summary: This study presents a new approach to characterize deep eutectic solvents (DESs) with functional groups possessing CO2 affinity based on structural and molar free volume analyses. Using analytical prediction and data, the study examines the effect of different functional groups on the CO2 absorption capacity and structural properties of DESs. Experimental measurements confirmed the successful formation of DESs and the distinct properties of the hydrogen used for the formation of hydrogen bonds. The study also proposed a method for predicting the structural configuration of DESs based on the chemical CO2 absorption capacity.

CHEMICAL ENGINEERING JOURNAL (2023)

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Review Engineering, Environmental

Tuning ionic liquid-based functional deep eutectic solvents and other functional mixtures for CO2 capture

Yisha Xu et al.

Summary: This paper presents the application of ionic liquids (ILs) in carbon capture, utilization, and separation (CCUS), including functional deep eutectic solvents (DESs) based on ILs and other mixtures with functional CO2-philic groups. The research progress in the past five years on functional DESs and mixtures is summarized, and the absorption mechanisms of single or multiple carbamate and carbonate are discussed. Finally, future directions and prospects for IL-based functional DESs and mixtures in CCUS are discussed.

CHEMICAL ENGINEERING JOURNAL (2023)

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Article Thermodynamics

Ternary deep eutectic solvents: Evaluations based on how their physical properties affect energy consumption during post-combustion CO2 capture

Jiasi Sun et al.

Summary: In this study, an inverse design method was proposed to reduce the energy requirement of post-combustion CO2 capture. Four physical solvents were modeled and optimized using artificial neural network-simulated annealing models. The optimization results highlighted the importance of absorbent properties for energy savings. A new strategy was proposed for adjusting the physical properties of deep eutectic solvents, and a promising CO2 absorbent was identified through experimental tests and computer modeling.

ENERGY (2023)

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Article Thermodynamics

Performance and Mechanism Study on Functionalized Phosphonium-Based Deep Eutectic Solvents for CO2 Absorption

Yuanyuan Cui et al.

Summary: A series of functionalized phosphonium-based deep eutectic solvents (DESs) were prepared to enhance the solubility of CO2. The addition of carboxyl, hydroxyl, or amino functional groups to the alkyl chain of phosphonium-based ionic liquid (IL) was found to improve the solubility. The solubility data for the {CO2 + DESs} system were correlated using the nonrandom two-liquid (NRTL) model, with an average relative deviation (ARD%) less than 5%.

INTERNATIONAL JOURNAL OF THERMOPHYSICS (2023)

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Article Chemistry, Physical

Vapor-liquid equilibrium of carbon dioxide solubility in a deep eutectic solvent (choline chloride: MDEA) and a mixture of DES with piperazine- experimental study and modeling

Hossein Ghanbari-Kalajahi et al.

Summary: In recent years, researchers have introduced deep eutectic solvents (DES) composed of a hydrogen bond donor and a hydrogen bond acceptor to measure CO2 absorption. The results showed that increasing pressure, reducing temperature, and increasing the concentration of piperazine can enhance CO2 absorption. Additionally, a thermodynamic approach was used to calculate the vapor-liquid equilibria and non-ideality of the liquid mixture, and the modeling results were in good agreement with the experimental data.

JOURNAL OF MOLECULAR LIQUIDS (2023)

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Article Chemistry, Multidisciplinary

Ternary Ionic-Liquid-Based Electrolyte Enables Efficient Electro-reduction of CO2 over Bulk Metal Electrodes

Jiahao Yang et al.

Summary: Using a ternary ionic-liquid-based electrolyte, this study couples bulk metal electrodes to achieve highly efficient electro-reduction of CO2 to CO. The ternary electrolyte increases current density and suppresses the hydrogen evolution reaction, while maintaining a high Faradaic efficiency. The aggregation behavior of the electrolyte and the arrangement of different chain lengths of ionic liquid cations contribute to the improved wettability, CO2 adsorption, and diffusion channel for H+, resulting in high current density and FECO values.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2023)

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Article Multidisciplinary Sciences

Experimental investigation of novel ternary amine-based deep eutectic solvents for CO2 capture

Hossam K. Abdrabou et al.

Summary: This study investigates the effect of using water as a low-viscosity component in ternary amine-based deep eutectic solvents (DESs) on their physicochemical properties, thermal stability, and CO2 absorption capacity. The results show that adding small amounts of water can significantly decrease the viscosity of DESs while maintaining high CO2 absorption capacity and thermal stability.

PLOS ONE (2023)

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Article Multidisciplinary Sciences

New molecular structure based models for estimation of the CO2 solubility in different choline chloride-based deep eutectic solvents (DESs)

Farnoosh Dehkordi et al.

Summary: The CO2 solubility in different choline chloride-based deep eutectic solvents (DESs) was investigated using the Quantitative Structure-Property Relationship (QSPR). The effect of different structures of the hydrogen bond donor (HBD) in choline chloride (ChCl) based DESs was studied at different temperatures and molar ratios of ChCl as hydrogen bond acceptor (HBA) to HBD. Twelve different datasets with 390 data points on CO2 solubility were chosen for model development.

SCIENTIFIC REPORTS (2023)

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Article Chemistry, Multidisciplinary

Predicting the CO2 Capture Capability of Deep Eutectic Solvents and Screening over 1000 of their Combinations Using Machine Learning

Tarek Lemaoui et al.

Summary: A machine learning approach was used to predict the solubility of CO2 in DESs and screen 1320 DESs for their development as more sustainable solvents for carbon capture.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2023)

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Article Chemistry, Multidisciplinary

Tunable and functional phosphonium-based deep eutectic solvents for synthesizing of cyclic carbonates from CO2 and epoxides under mild conditions

Yuanyuan Cui et al.

Summary: Carbon dioxide (CO2) conversion into carbonates is achieved using phosphonium-based functional deep eutectic solvents (DESs) as catalysts, with 1-ethylamine-3-butylphosphine bromide-diethylene glycol ([P4,4,4,2NH2][Br]-DEG) DES catalyst achieving 96% propylene carbonate (PC) yield under mild conditions. The DES catalyst can be recovered and maintains its efficiency after five cycles. Additionally, in situ FT-IR and density functional theory (DFT) reveal a potential reaction mechanism involving synergistic catalysis between quaternary phosphine ionic liquids (ILs) and ethylene glycol (EG)/DEG.

JOURNAL OF CO2 UTILIZATION (2023)

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Article Chemistry, Physical

Highly efficient synthesis of cyclic carbonate with CO2 under mild condition catalyzed by deep eutectic solvents in a microreactor

Dengfeng Cui et al.

Summary: This study investigated the cyclic addition reaction of epoxy propane (PO) and carbon dioxide to propylene carbonate (PC) in a microchannel using a range of imidazol-based deep eutectic ionic liquids (DEILs). The performance of the microreactor was evaluated by examining the effects of various operating conditions. The findings showed a significant reduction in residence time and increased yields in the microreactor compared to traditional reactors.

MOLECULAR CATALYSIS (2023)

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Article Chemistry, Multidisciplinary

COSMO-RS Exploration of Highly CO2-Selective Hydrogen-Bonded Binary Liquid Absorbents under Humid Conditions: Role of Trace Ionic Species

Shiori Watabe et al.

Summary: Improving carbon capture efficiency and reducing costs are crucial for the widespread adoption of carbon capture and storage. This study examines the CO2 absorption capacity of 1,533,528 hydrogen-bonded mixtures, known as deep eutectic solvents, from a perspective of green chemistry and engineering. The findings confirm that deep eutectic solvents containing ionic compounds exhibit higher CO2 selective absorption capacity compared to those composed of non-ionic species. The quantitative evaluation of hydrogen-bonding interaction further predicts that the capacity is enhanced when the ionic compounds function as hydrogen-bonding donors, as they weaken the hydrogen-bonding network in the mixtures and improve CO2 physisorption.

ACS OMEGA (2023)

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Article Chemistry, Physical

Unlocking direct CO2 electrolysis to C3 products via electrolyte supersaturation

Kun Qi et al.

Summary: A supersaturation strategy was employed to electrosynthesize 2-propanol from CO2 using highly carbonated electrolytes. The CuAg alloy catalyst exhibited high performance for 2-propanol production with a faradaic efficiency of 56.7% and at a specific current density of 59.3 mA cm(-2).

NATURE CATALYSIS (2023)

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Article Engineering, Environmental

Interfacial role of Ionic liquids in CO2 electrocatalytic Reduction: A mechanistic investigation

Shuai Guo et al.

Summary: Ionic liquids (ILs) have a great potential in CO2 conversion due to their ability to reduce the overpotential of CO2 electrocatalytic reduction reaction (CO2RR). This study investigates the mechanism of CO2RR on Ag electrode surfaces with ILs through comprehensive DFT calculations. The results show that Ag(1 1 0) surface exhibits better catalytic performance and ILs decrease the energy barrier of the transition state (Ts) by localizing CO2 at different positions of the [Emim](+) cation. The role of water in the reaction is also explored using the implicit-solvent model.

CHEMICAL ENGINEERING JOURNAL (2023)

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Article Chemistry, Multidisciplinary

Understanding the role of imidazolium-based ionic liquids in the electrochemical CO2 reduction reaction

Alessia Fortunati et al.

Summary: The development of efficient CO2 capture and utilization technologies driven by renewable energy sources is essential to reduce the impact of climate change. In this study, seven imidazolium-based ionic liquids were tested as catholytes for electrocatalytic CO2 reduction to CO. Different selectivities for CO2 reduction or H2 evolution were observed among the different ionic liquids.

COMMUNICATIONS CHEMISTRY (2023)

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Article Energy & Fuels

Quasi-SMILES as a basis for the development of QSPR models to predict the CO2 capture capacity of deep eutectic solvents using correlation intensity index and consensus modelling

Parvin Kumar et al.

Summary: The CO2 capture capacity of deep eutectic solvents (DESs) can be mathematically described based on hydrogen bond acceptor, hydrogen bond donor, molar ratio, temperature, and pressure. Quasi-SMILES are used to represent DESs under different conditions and construct quantitative models. Different splits and sets are prepared from the dataset to develop QSPR models with good statistical quality. Consensus modeling is also performed to predict the robustness of the developed models, and the winner consensus model shows high determination coefficient and MAE (95%) values.

FUEL (2023)

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Review Green & Sustainable Science & Technology

A review of ionic liquids and deep eutectic solvents design for CO2 capture with machine learning

Jiasi Sun et al.

Summary: Ionic liquids (ILs) and deep eutectic solvents (DESs) are considered as potential solvents for carbon capture. The properties of ILs/DESs can vary due to the different combinations of cations and anions, making it challenging to screen suitable ILs/DESs for CO2 capture experimentally. Computer-aided molecular design (CAMD) using machine learning (ML) models provides an efficient and accurate approach to search for appropriate IL structures for carbon capture. This review paper discusses the application of ML models in predicting the properties of ILs/DESs and the carbon capture effectiveness, and proposes future research directions and challenges in screening suitable ILs/DESs.

JOURNAL OF CLEANER PRODUCTION (2023)

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Article Biochemistry & Molecular Biology

CO2 Capture Mechanism by Deep Eutectic Solvents Formed by Choline Prolinate and Ethylene Glycol

Mingzhe Chen et al.

Summary: In this study, the deep eutectic solvents (DESs) [Ch][Pro](-)EG were synthesized using choline prolinate ([Ch][Pro]) as a hydrogen bond acceptor and ethylene glycol (EG) as a hydrogen bond donor to capture CO2. The results indicate that CO2 reacts with both the amino group of [Pro](-)anion and the hydroxyl group of EG, which differs from the mechanism reported in the literature for [Ch][Pro](-)EG DESs.

MOLECULES (2023)

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Article Engineering, Environmental

Tuning functional ionic deep eutectic solvents as green sorbents and catalysts for highly efficient capture and transformation of CO2 to quinazoline-2,4(1H,3H)-dione and its derivatives

Guokai Cui et al.

Summary: A series of functional ionic deep eutectic solvents (iDESs) containing pyridinolate anions were developed as green sorbents, solvents, and catalysts for the efficient capture and transformation of CO2 to quinazoline-2,4 (1H,3H)-dione and its derivatives. The physical properties of the iDESs were investigated, and the effects of CO2 partial pressure and absorption temperature on CO2 absorption capacity were studied. The CO2 absorption mechanism and reaction thermodynamics were analyzed, and the effects of various factors on CO2 conversion were systematically studied.

CHEMICAL ENGINEERING JOURNAL (2023)

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Article Engineering, Environmental

Tailoring the characteristics of deep eutectic solvents comprising quaternized linear polyamine based on the order of amines for CO2 capture

Minseok Park et al.

Summary: Fossil-fuel-based power generation has been crucial for societal development, but it has led to severe climate change due to the high concentration of CO2 in the atmosphere. To address this issue, CO2 capture technologies have been continuously developed. First-generation CO2 absorbents, such as alkanolamines, have been widely used, while second-generation absorbents using ionic liquids have shown improved capacity and lower vapor pressure. However, these absorbents have limitations that hinder their commercialization. Recently, deep eutectic solvents (DESs) have gained attention as a potential solution. In this study, DESs with high CO2 capture performance were designed and synthesized using a novel approach, and their characteristics were analyzed.

CHEMICAL ENGINEERING JOURNAL (2023)

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Article Chemistry, Multidisciplinary

Assessment of Green Chemistry Metrics for Carbon Dioxide Fixation into Cyclic Carbonates Using Eutectic Mixtures as Catalyst: Comprehensive Evaluation on the Example of a Tannic Acid-Derived System

Alina Brzeczek-Szafran et al.

Summary: Utilizing CO2 as a feedstock for the synthesis of cyclic carbonates is a promising approach to reduce CO2 emissions and decrease reliance on fossil fuels. However, the focus has been mainly on catalyst performance and reaction conditions, with little attention given to sustainability aspects.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2023)

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Article Chemistry, Multidisciplinary

Deep eutectic solvents composed of bio-phenol-derived superbase ionic liquids and ethylene glycol for CO2 capture

Ze Wang et al.

Summary: Deep eutectic solvents (DESs) formed by bio-phenol-derived superbase ionic liquids (ILs) and ethylene glycol (EG) exhibit a high CO2 capacity, and CO2 reacts with EG rather than phenolic anions, possibly through an acid-base reaction followed by the formation of carbonate species.

CHEMICAL COMMUNICATIONS (2022)

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Review Chemistry, Multidisciplinary

Advances of Ionic Liquids and Deep Eutectic Solvents in Green Processes of Biomass-Derived 5-Hydroxymethylfurfural

Lifang Chen et al.

Summary: This review summarizes the recent progress in experimental and theoretical studies on the dehydration of carbohydrates to produce 5-hydroxymethylfurfural (HMF) using ionic liquids (ILs) and deep eutectic solvents (DESs) as catalysts or solvents. It also provides an overview of catalytic transformations of HMF to downstream products using ILs and DESs. The challenges and prospects of ILs and DESs for the production of HMF and its derivatives from biomass are discussed.

CHEMSUSCHEM (2022)

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Article Biochemistry & Molecular Biology

CO2 Absorption Mechanism by the Deep Eutectic Solvents Formed by Monoethanolamine-Based Protic Ionic Liquid and Ethylene Glycol

Jinyu Cheng et al.

Summary: This study investigated the CO2 absorption mechanism by deep eutectic solvents (DESs) based on ethylene glycol (EG) and protic ionic liquid. The results showed that CO2 not only binds to the amine group but also reacts with the deprotonated EG, forming carbamate and carbonate species. Two pathways were proposed to explain the reaction mechanism between CO2 and DESs. These findings provide new insights into the interactions between CO2 and DESs, which can contribute to the design and applications of DESs for carbon capture in the future.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2022)

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Article Chemistry, Physical

CO2 capture by 1-ethyl-3-methylimidazolium acetate: Solubility at low pressure and quantification of chemisorption and physisorption

Mingcan Mei et al.

Summary: This study proposes an experimental approach to quantify the chemisorption and physisorption of CO2 in chemisorptive absorbent. By combining quantitative NMR spectroscopy and mass balance, the contributions of chemisorption and physisorption can be quantified and thermodynamic analyses can be performed.

JOURNAL OF MOLECULAR LIQUIDS (2022)

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Article Engineering, Chemical

Systematic study of the effect of the co-solvent on the performance of amine-based solvents for CO2 capture

Ismail I. I. Alkhatib et al.

Summary: Aqueous amines technology is mature for large-scale CO2 capture, but high energy regeneration remains a drawback. Water-free and water-lean solvents are attractive alternatives to reduce regeneration energy, with ethylene glycol showing promise as a co-solvent for minimizing CO2 solubility reduction and decreasing enthalpy of absorption. Systematic studies on the effect of co-solvent on thermodynamic properties for optimizing the separation process are needed.

SEPARATION AND PURIFICATION TECHNOLOGY (2022)

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Article Materials Science, Multidisciplinary

CO2 capture by alcohol ammonia based deep eutectic solvents with different water content

Xiangwei Liu et al.

Summary: The absorption of CO2 by deep eutectic solvents is influenced by the water content, with tertiary amine systems showing enhanced absorption.

MATERIALS RESEARCH EXPRESS (2022)

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Article Engineering, Chemical

Viscosity model of deep eutectic solvents from group contribution method

Liu-Ying Yu et al.

Summary: Deep eutectic solvents (DESs) are a sustainable category of solvents that can be designed without using or generating harmful chemicals. This study proposes a mathematical model using the group contribution method to accurately predict the viscosity of DESs. The results show that the model can predict the viscosity of DESs with high accuracy using only temperature and composition as inputs.

AICHE JOURNAL (2022)

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Article Engineering, Environmental

Elucidating the transition between CO2 physisorption and chemisorption in 1,2,4-triazolate ionic liquids at a molecular level

Xutao Hu et al.

Summary: Capture of CO2 is crucial for achieving carbon neutrality, and high-performance CO2 capture involves a transition between physi- and chemi-sorption. However, the mechanistic insights required to tune this transition are poorly understood. In this study, a series of 1,2,4triazolate ionic liquids were used to capture CO2, and the transition between physi- and chemi-sorption modes was studied and understood, providing insights for tuning CO2 capture.

CHEMICAL ENGINEERING JOURNAL (2022)

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Review Chemistry, Multidisciplinary

Modeling Operando Electrochemical CO2 Reduction

Federico Dattila et al.

Summary: This study reviews recent progress in computational modeling of electrocatalytic systems, focusing on electrochemical CO2 reduction and hydrogen evolution. Novel approaches such as ab initio calculations and machine learning have been employed to partially reproduce surface reconstruction and interpret experimental data, providing insights for future research directions.

CHEMICAL REVIEWS (2022)

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Article Engineering, Chemical

Solubility of Gases in Choline Chloride-Based Deep Eutectic Solvents from Molecular Dynamics Simulation

Kishant Kumar et al.

Summary: Choline chloride-based deep eutectic solvents (DESs) are environmentally friendly and cost-effective green solvents with potential applications in gas solvation and flue gas treatment.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2022)

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Article Chemistry, Physical

A density functional theory based tight-binding study on the water effect on nanostructuring of choline chloride plus ethylene glycol deep eutectic solvent

Sara Rozas et al.

Summary: This study analyzed the effect of water on the properties of an archetypical type III deep eutectic solvent using ab initio molecular dynamics simulations. The results showed that the properties of the deep eutectic solvent were significantly influenced by the amount of water, and the competition of water molecules for available hydrogen bonding sites played a crucial role in the evolution of the properties. Moreover, the main structural features of the deep eutectic solvent were maintained even at high water contents, suggesting that its hydrophilicity could be used to tune the physicochemical properties of the fluid.

JOURNAL OF CHEMICAL PHYSICS (2022)

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Article Chemistry, Multidisciplinary

Characteristics of Deep eutectic solvents for CO2 capture with Hydro effects for improvement of mass transfer

Cristian Aravena et al.

Summary: Deep eutectic solvents (DESs) prepared by mixing hydrogen bond donors (HBDs) and acceptors (HBAs) are potential absorbents for carbon capture, storage, and utilization (CCUS) technology. However, their applications in large-scale industries are limited by the lack of research. This study analyzed the CO2 absorption capacities and physicochemical properties of DESs using choline chloride (ChCl) as the HBA mixed with five different HBDs. The results showed that ChCl:U:W could be a potential alternative to conventional alkanolamine absorbents for CCUS, with superior absorption capacity compared to other DESs.

JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY (2022)

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Article Chemistry, Physical

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

Sara Rozas et al.

Summary: This theoretical study used classical molecular dynamics simulations to investigate Natural Deep Eutectic Solvents for CO2 capture. It examined nanoscopic properties of eutectic + CO2 mixtures, including intermolecular forces, solvation, and changes in solvent properties upon CO2 absorption. The study also considered interfacial properties of the solvent with vacuum, pure CO2, and flue gas-like gas phases. The results characterized the mechanism of CO2 capture and suggested that terpenoid-based natural eutectics are suitable for green, low cost, and sustainable solvents.

JOURNAL OF MOLECULAR LIQUIDS (2022)

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Article Chemistry, Physical

Solubilities and Transport Properties of CO2, Oxalic Acid, and Formic Acid in Mixed Solvents Composed of Deep Eutectic Solvents, Methanol, and Propylene Carbonate

Noura Dawass et al.

Summary: In this study, molecular simulations were used to compute the properties of mixed solvents composed of deep eutectic solvents (DES) and organic solvents. The results show that adding DES to the organic solvents can increase the solubilities of oxalic and formic acids, but also increases the density and viscosity of the mixed solvents. Additionally, the self-diffusivities and ionic conductivities decrease as more DES is added to the mixtures.

JOURNAL OF PHYSICAL CHEMISTRY B (2022)

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Article Chemistry, Multidisciplinary

Effective synthesis of cyclic carbonates from CO2 and epoxides catalyzed by acetylcholine bromide-based deep eutectic solvents

Xiaoqing Yang et al.

Summary: In this study, a series of bio-based deep eutectic solvents (DESs) were synthesized for catalyzing the cycloaddition reaction of CO2 with epoxides. The AcChBr-LMA (2:1) DES, formed by acetylcholine bromide (AcChBr) and L-malic acid (LMA), showed the highest catalytic activity (up to 98% yield) and excellent recyclability under mild conditions. Mechanism studies revealed a synergistic catalytic effect between the hydrogen bond acceptor (HBA) and hydrogen bond donor (HBD).

JOURNAL OF CO2 UTILIZATION (2022)

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Article Chemistry, Multidisciplinary

Turning deep-eutectic solvents into value-added products for CO2 capture: A desirability-based virtual screening study

Pravin Ambure et al.

Summary: This study applies a desirability-based decision approach to find deep eutectic solvents (DESs) with high CO2 absorption capacity and low viscosity. Through quantitative structure-property relationships (QSPR) models and desirability functions, DESs suitable for industrial applications are selected. This work demonstrates the usefulness of the desirability-based approach in the discovery of materials for specific sustainable applications.

JOURNAL OF CO2 UTILIZATION (2022)

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Article Chemistry, Multidisciplinary

Development of green solvents for efficient post-combustion CO2 capture with good regeneration performance

Wenbin Qian et al.

Summary: This study focuses on the development of green solvents for CO2 capture by preparing deep eutectic solvents (DES) using glycine and proline as hydrogen bond acceptors and monoethanolamine and ethyl diethanolamine as hydrogen bond donors. The DES based on monoethanolamine shows better CO2 uptake capability compared to ethyl diethanolamine-based DES. The introduction of ethylene glycol enhances the absorption kinetics and regeneration ability. The DES [Gly][MEA][EG] exhibits excellent tolerance to water content and CO2 concentration in flue gases and shows robust performance in regeneration with no sustainable solvent loss after multiple cycles.

JOURNAL OF CO2 UTILIZATION (2022)

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Article Chemistry, Multidisciplinary

Type V deep eutectic solvents: Design and applications

Dinis O. Abranches et al.

Summary: This article provides guidelines for the rational design of Type V deep eutectic solvents and reviews their recent applications, with emphasis on the importance of selecting suitable hydrogen bond donors and acceptors to achieve non-ideality in the liquid phase.

CURRENT OPINION IN GREEN AND SUSTAINABLE CHEMISTRY (2022)

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Article Chemistry, Multidisciplinary

CO2 Chemisorption Behavior in Conjugated Carbanion-Derived Ionic Liquids via Carboxylic Acid Formation

Xian Suo et al.

Summary: Superbase-derived task-specific ionic liquids (STSILs) are an attractive and extensively studied system for carbon capture. In this work, carbanion-derived STSILs were developed for efficient CO2 chemisorption via a carboxylic acid formation pathway. The results demonstrate the importance of extended conjugation in the CO2-integrated product for achieving efficient CO2 chemisorption.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)

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Article Chemistry, Multidisciplinary

Structure, Organization, and Heterogeneity of Water-Containing Deep Eutectic Solvents

Kai Toepfer et al.

Summary: This study investigates the spectroscopy and structural dynamics of a deep eutectic mixture with varying water content using 2D IR and THz spectroscopy. Molecular dynamics simulations accurately describe the dependence of spectroscopic signatures on water content. The results demonstrate that the combination of structure-sensitive spectroscopies and molecular dynamics simulations provides molecular-level insights into the heterogeneity of such mixtures.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)

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Article Engineering, Environmental

Carbon dioxide solubility in Deep Eutectic Solvents: Modelling using Cubic Plus Association and Peng-Robinson equations of state

Fernanda Paludetto Pelaquim et al.

Summary: Carbon capture, storage, and utilization are effective methods for reducing CO2 emissions. This study models the solubility of CO2 in thirteen Deep Eutectic Solvents (DESs) and compares their efficiency using thermodynamic modeling. The results show that fitting the binary interaction parameter improves the reproduction results, and the 4C association scheme provides a better equilibrium description. The individual component approach outperforms the pseudo-component approach in reproducing experimental data, supporting the definition of DESs.

PROCESS SAFETY AND ENVIRONMENTAL PROTECTION (2022)

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Article Chemistry, Physical

Copper/alkaline earth metal oxide interfaces for electrochemical CO2-to-alcohol conversion by selective hydrogenation

Aoni Xu et al.

Summary: This study reports the use of Cu catalysts decorated with alkaline earth metal oxides (MOs) to achieve high selectivity towards multicarbon alcohols in electrochemical CO2 reduction. Experimental results and computational studies suggest that MOs at the MO/Cu interface favor the formation of hydroxy-containing C-2 intermediates, leading to increased selectivity towards alcohols.

NATURE CATALYSIS (2022)

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Article Chemistry, Physical

Tuning Ionic Screening To Accelerate Electrochemical CO2 Reduction in Ionic Liquid Electrolytes

Beichen Liu et al.

Summary: This study investigates the influence of ionic correlations on CO2 electrochemical reduction. The findings show that increasing ion concentration leads to an acceleration of CO2 reduction rates and an enhancement of the efficiency to produce CO. Importantly, the acceleration of CO2 reduction is due to the amplification of potential-dependent driving forces. This phenomenon is observed across different types of ions.

ACS CATALYSIS (2022)

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Article Chemistry, Multidisciplinary

Rational Screening of Deep Eutectic Solvents for the Direct Extraction of α-Tocopherol from Deodorized Distillates

Jie Cheng et al.

Summary: This work proposes the use of deep eutectic solvents (DESs) as an alternative approach for the extraction of vitamin E from deodorized distillates. A rational screening method is presented to select suitable DESs, considering thermodynamic evaluation, environmental and safety impacts, and eutectic behavior estimation. The reliability of the screening method is validated through experiments, identifying tetrabutylphosphonium chloride-ethanolamine as a suitable DES for alpha-tocopherol extraction.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2022)

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Article Chemistry, Multidisciplinary

Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS

Khalil Parvaneh et al.

Summary: Deep Eutectic Solvents (DES) are a recent category of green solvents with unique characteristics and tunable physical properties, showing high potentials for various applications. The Perturbed Chain-Statistical Associating Fluid Theory (PC-SAFT) model is used to estimate CO2 solubility in different DESs, demonstrating its suitability for this task. Proposed generalized correlations for predicting PC-SAFT parameters across different families of DESs provide a global technique for estimating CO2 solubilities in new and upcoming DESs, eliminating the need for further experimental work.

FRONTIERS IN CHEMISTRY (2022)

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Article Nanoscience & Nanotechnology

Superbase and Hydrophobic Ionic Liquid Confined within Ni Foams as a Free-Standing Catalyst for CO2 Electroreduction

Jianpeng Feng et al.

Summary: In this study, a free-standing electrocatalyst was constructed by confining a superbase and hydrophobic ionic liquid into Ni foam pores. This strategy successfully suppresses the hydrogen evolution reaction and improves the efficiency of CO2 reduction. The high CO2 capacity and modulation effect of the ionic liquid also play a positive role in the reaction.

ACS APPLIED MATERIALS & INTERFACES (2022)

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Article Engineering, Chemical

Rational eutectic solvent design by linking regular solution theory with QSAR modelling

Jiahui Chen et al.

Summary: In this study, regular solution theory and quantitative structure-activity relationship modelling were used for the design of eutectic solvents. Through the development of a QSAR model based on the RST interaction parameters and molecular descriptors, the eutectic temperature and composition of eutectic solvent systems could be accurately predicted, allowing for the design of novel eutectic solvents.

CHEMICAL ENGINEERING SCIENCE (2022)

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Article Chemistry, Physical

Efficient absorption and thermodynamic modeling of nitric oxide by low viscous DBU-based N-heterocyclic deep eutectic solvents

Wentao Zheng et al.

Summary: A series of low viscous deep eutectic solvents composed of DBU and N-heterocyclic compounds were designed and synthesized as NO trapping agents. The absorption behavior could be adjusted by the molar ratio of DBU to N-heterocyclic compounds. The absorption of NO in the DBU-based N-heterocyclic DESs was governed by the chemical interaction between NO and the N atom on the N-heterocyclic compounds.

JOURNAL OF MOLECULAR LIQUIDS (2022)

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Article Chemistry, Physical

Effects of the structure on physicochemical properties and CO2 absorption of hydroxypyridine anion-based protic ionic liquids

Tingting Chen et al.

Summary: This study synthesized six hydroxypyridine-based protic ionic liquids and measured their physicochemical properties and CO2 absorption behavior. The results showed that the structure of the ionic liquids plays an important role in their properties and CO2 absorption behavior.

JOURNAL OF MOLECULAR LIQUIDS (2022)

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Article Chemistry, Multidisciplinary

Basicity-controlled DBN-based deep eutectic solvents for efficient carbon dioxide capture

Haina Sang et al.

Summary: Reducing greenhouse gas emissions is crucial for mitigating global warming. This study focused on developing efficient and reversible carbon dioxide (CO2) absorbents using ionic liquids (ILs) synthesized with 1,5-diazabicyclo [4.3.0]-non-5-ene (DBN) as the cation and different pKa anions such as 1,2,4-triaz (Triz), 2-methylimidazole (2-MeIm), and 2-Oxazolidone (Oxa). The results showed that the higher pKa of the anion, the better the CO2 absorption performance. The DBN-based deep eutectic solvents (DESs) exhibited excellent recyclability.

JOURNAL OF CO2 UTILIZATION (2022)

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Article Chemistry, Multidisciplinary

CO2 capture by 1,2,3-triazole-based deep eutectic solvents: the unexpected role of hydrogen bonds

Zonghua Wang et al.

Summary: In this study, DESs were used for CO2 capture, and the results showed that the strength of hydrogen bonds plays a significant role in the absorption and desorption of CO2.

CHEMICAL COMMUNICATIONS (2022)

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Article Environmental Sciences

Responsibility of major emitters for country-level warming and extreme hot years

Lea Beusch et al.

Summary: According to Earth System model emulators, greenhouse gas emissions from the five largest emitters (China, the US, EU-27, India, and Russia) between 1991 and 2030 are expected to result in more countries experiencing extremely hot years. If all countries had the same per capita fossil CO2 emissions as projected for the US from 2016 to 2030, global warming in 2030 would be 0.4 degrees C higher and more countries would exceed 2 degrees C of regional warming compared to current pledges.

COMMUNICATIONS EARTH & ENVIRONMENT (2022)

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Article Engineering, Environmental

Transformation of CO2 incorporated in adducts of N-heterocyclic carbene into dialkyl carbonates under ambient conditions: An experimental and mechanistic study

Xutao Hu et al.

Summary: A two-step strategy for the transformation of CO2 into dialkyl carbonates under ambient conditions was reported, achieving high selectivity and CO2 conversion rate. The reaction mechanism was identified through experiments, and the process integrated with regeneration cycles shows promise for efficient CO2 conversion.

CHEMICAL ENGINEERING JOURNAL (2021)

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Review Chemistry, Multidisciplinary

Deep Eutectic Solvents: A Review of Fundamentals and Applications

Benworth B. Hansen et al.

Summary: Deep eutectic solvents (DESs) exhibit significant depressions in melting points and tunable physicochemical properties, but there is still a lack of predictive understanding of their microscopic mechanisms and structure-property relationships. Research on complex hydrogen bonding is crucial for a deeper understanding and development of fundamental frameworks for DESs.

CHEMICAL REVIEWS (2021)

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Article Chemistry, Physical

The Role of Organic Promoters in the Electroreduction of Carbon Dioxide

Dmitry V. Vasilyev et al.

Summary: This review classifies and describes the roles of various organic promoters in the electrochemical reduction of carbon dioxide (CO2RR), highlighting key considerations to prevent errors and pave the way for industrial implementation.

ACS CATALYSIS (2021)

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Article Chemistry, Physical

Molecular dynamics study on water confinement in deep eutectic solvents

Alberto Gutierrez et al.

Summary: This study investigated the nanoscopic properties of highly diluted water solutions in a choline chloride + lactic acid deep eutectic solvent, using molecular dynamics simulations to characterize the confinement mechanism of water in deep eutectic solvents. The results showed that water can be confined in liquid cages within deep eutectic solvents, maintaining its individuality with minimal impact on the solvent properties, which could potentially be utilized for technological applications.

JOURNAL OF MOLECULAR LIQUIDS (2021)

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Article Engineering, Chemical

Carbon dioxide capture by new DBU-based DES: The relationship between ionicity and absorptive capacity

Hui Fu et al.

Summary: In this study, DBU/imine, DBU/imide DESs were synthesized as CO2 trapping agents, and the ionicity was found to be a key factor affecting the absorption capacity. A new CO2 capture mechanism was proposed based on ionicity calculation, and DBU/2-Pyrrolidinone and DBU/Oxazolidinone were identified as effective CO2 trapping agents with high absorption capacity under specific mole ratios.

AICHE JOURNAL (2021)

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Article Chemistry, Physical

How is CO2 absorbed into a deep eutectic solvent?

Vahideh Alizadeh et al.

Summary: Deep eutectic solvents show promising potential as CO2 absorbents, contributing to sustainable CO2 reduction and combating global climate change. Molecular dynamics simulations provide insights into the CO2 absorption mechanism in the solvent, revealing varying interactions between different components and CO2 under different pressures.

JOURNAL OF CHEMICAL PHYSICS (2021)

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Article Chemistry, Physical

Physical absorption of carbon dioxide in imidazole-PTSA based deep eutectic solvents

Hao Qin et al.

Summary: Efficient capture of CO2 is crucial for addressing global warming. This study used halogen-free deep eutectic solvents (DESs) to absorb CO2, measured solubility, compared with other solvents, and analyzed interaction energies between CO2 and DESs to illustrate the absorption mechanism.

JOURNAL OF MOLECULAR LIQUIDS (2021)

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Article Green & Sustainable Science & Technology

Electrochemical CO2 reduction to CO facilitated by MDEA-based deep eutectic solvent in aqueous solution

Naveed Ahmad et al.

Summary: Electrocatalytic CO2 reduction using amine-based deep eutectic solvents (DES) in aqueous solution shows higher efficiency in converting CO2 to CO compared to traditional amine solutions. The use of [MEAHCI][MDEA] as an electrolyte results in a faradaic efficiency of 71% at Ag electrode, showing promise for future applications in CO2 reduction.

RENEWABLE ENERGY (2021)

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Article Engineering, Chemical

Sustainability criteria as a game changer in the search for hybrid solvents for CO2 and H2S removal

Ismail I. I. Alkhatib et al.

Summary: A multi-criteria assessment approach, combining sustainability indicators, was developed and applied to examine the performance of hybrid solvents for acid gas removal. The study compared six solvents, including benchmark aqueous MEA, and found that MEA performed the best overall. MEA + NMP hybrid solvent showed potential in terms of reduced absorption capability and energy of regeneration, but failed in sustainability metrics.

SEPARATION AND PURIFICATION TECHNOLOGY (2021)

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Review Chemistry, Multidisciplinary

Understanding the Effect of Water on CO2 Adsorption

Joel M. Kolle et al.

Summary: Carbon capture from large sources and ambient air is an effective strategy to mitigate greenhouse gas emissions. Among the various technologies, CO2 adsorption is a popular method due to its energy efficiency. The presence of water vapor in air and industrial gas streams rich in CO2 has a significant impact on CO2 adsorption, with water acting as both an inhibitor and promoter depending on the adsorbent used. Further research is needed to fully understand the effects of water on CO2 capture using different materials.

CHEMICAL REVIEWS (2021)

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Article Chemistry, Physical

Experimental investigation of carbon dioxide solubility in the deep eutectic solvent (1 ChCl+3 triethylene glycol) and modeling by the CPA EoS

Reza Haghbakhsh et al.

Summary: In this study, CO2 solubilities in a deep eutectic solvent were measured at various temperatures and pressures, and modeled using mathematical equations. The results indicate that the dissolution process of CO2 is nonspontaneous, exothermic, and results in a higher degree of order in the liquid phase, with stronger CO2 - DES interactions.

JOURNAL OF MOLECULAR LIQUIDS (2021)

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Article Chemistry, Physical

Critical role of solvent-modulated hydrogen-binding strength in the catalytic hydrogenation of benzaldehyde on palladium

Guanhua Cheng et al.

Summary: This study demonstrates significant differences in the hydrogenation rate of benzaldehyde on palladium in different solvents, while the reaction pathway remains unchanged, primarily involving stepwise addition of hydrogen to benzaldehyde. The solvent effects on the catalytic reaction mechanism are mainly attributed to the differences in the solvation of sorbed hydrogen.

NATURE CATALYSIS (2021)

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Article Engineering, Chemical

Integrated ionic liquid and rate-based absorption process design for gas separation: Global optimization using hybrid models

Xiang Zhang et al.

Summary: A new method for integrated design of ionic liquid (IL) and absorption process is proposed using rate-based process modeling incorporating absorption thermodynamics and kinetics. However, due to model complexity, the problem may face convergence failure. By employing tractable surrogate models to replace complex thermodynamic models, computational difficulty can be reduced to find the global optimum.

AICHE JOURNAL (2021)

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Article Energy & Fuels

Understanding the CO2 capture performance by MDEA-based deep eutectics solvents with excellent cyclic capacity

Naveed Ahmad et al.

Summary: Three methyldiethanolamine (MDEA) based deep eutectic solvents (DESs) were developed for efficient CO2 capture and regeneration. DFT calculation and MD simulations revealed that CO2 absorption performance depends on the hydrogen bond acceptor. The best performing [MEAHCl][MDEA] solvent, enhanced by additional MEA, showed excellent cyclic capacity after 5 regeneration cycles.

FUEL (2021)

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Article Engineering, Chemical

Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT Verification

Xiang Zhang et al.

Summary: A novel computer-aided IL design method is proposed in this study, utilizing simple and reliable data-driven models to predict CO2 solubility. By formulating the IL design problem as a mixed-integer nonlinear programming problem, global optimal solutions are successfully obtained to enhance design reliability.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2021)

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Article Chemistry, Multidisciplinary

Deep Eutectic Solvents as Efficient Catalysts for Fixation of CO2 to Cyclic Carbonates at Ambient Temperature and Pressure through Synergetic Catalysis

Xiaoqing Yang et al.

Summary: A series of deep eutectic solvents (DESs) consisting of protic ionic liquids (PILs) and amines exhibit effective catalytic activity for the fixation of CO2 to cyclic carbonates, achieving high yields and stable catalytic activity. Mechanistic research reveals simultaneous activation of CO2 and epoxides through the synergistic catalysis of PILs and amines in these deep eutectic solvents.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2021)

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Article Engineering, Environmental

CO2 capture from flue gas using phosphonium based deep eutectic solvents: Modeling and simulation approach

Mohd Belal Haider et al.

Summary: The study demonstrates that using deep eutectic solvents (DESs) can more effectively capture carbon dioxide. Experimental results show that diethylene glycol-based DESs have the highest CO2 solubility and have the potential to capture CO2 from flue gas.

JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING (2021)

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Article Engineering, Chemical

Prediction of CO2 solubility in deep eutectic solvents using random forest model based on COSMO-RS-derived descriptors

Jingwen Wang et al.

Summary: This study developed a molecular-based mathematical model for predicting CO2 solubility in deep eutectic solvents (DESs). By establishing a comprehensive database, calculating descriptors, and using regression and machine learning methods for analysis, a reliable prediction model was suggested for CO2 solubility in DESs.

GREEN CHEMICAL ENGINEERING (2021)

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Article Chemistry, Multidisciplinary

Combining acid-based deep eutectic solvents and microwave irradiation for improved chestnut shell waste valorization

Jose Gonzalez-Rivera et al.

Summary: A microwave/deep eutectic solvent-assisted extraction process was developed for obtaining value-added compounds from chestnut shell waste, with ChCl-oxalic acid identified as a sensitive and efficient system for polyphenol extraction. The extraction efficiency was evaluated under different conditions, revealing the ability of the oxalic acid-based DES to simultaneously remove lignin during polyphenol extraction. Overall, the process allows for fast, cheap, and tunable processing of food waste to yield a high amount of valuable bioactive compounds.

GREEN CHEMISTRY (2021)

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Review Chemistry, Physical

Ionic liquids/deep eutectic solvents for CO2 capture: Reviewing and evaluating

Yanrong Liu et al.

Summary: This study comprehensively collected and summarized the solubilities of CO2 in physical- and chemical-based ILs/DESs, as well as the COSMO-RS models predicting these properties. Chemical-based ILs/DESs were found to be more effective for CO2 capture, especially those with functionalized cations and anions, and superbase DESs.

GREEN ENERGY & ENVIRONMENT (2021)

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Review Chemistry, Multidisciplinary

Eutectics: formation, properties, and applications

Dongkun Yu et al.

Summary: Various eutectic systems, including eutectic metals, eutectic salts, and deep eutectic solvents, have been proposed and studied in the past few decades. They have diverse applications in chemistry-related fields, with overlapping but distinct properties stemming from their different compositions. The introduction of new eutectic systems has driven the development of interdisciplinary research involving chemistry, materials, engineering, and energy.

CHEMICAL SOCIETY REVIEWS (2021)

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Article Chemistry, Multidisciplinary

Aliphatic carboxylic acid as a hydrogen-bond donor for converting CO2 and epoxide into cyclic carbonate under mild conditions

Zheng Wang et al.

Summary: The study developed a simple and inexpensive catalyst system using aliphatic carboxylic acids and quaternary ammonium halides as catalysts to efficiently catalyze the coupling of CO2 and epoxides. The research systematically investigated the effects of acid acidity and steric hindrance on the catalysis and deduced the reaction mechanism through exploring the interaction between representative systems.

NEW JOURNAL OF CHEMISTRY (2021)

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Review Chemistry, Multidisciplinary

Recent developments in organocatalysed transformations of epoxides and carbon dioxide into cyclic carbonates

Liping Guo et al.

Summary: This review focuses on the rapidly evolving field of organocatalysed cyclic carbonate synthesis, covering mechanisms, catalyst systems, key parameters, and future challenges. The importance of green metrics and catalyst requirements are highlighted throughout the article.

GREEN CHEMISTRY (2021)

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Article Chemistry, Multidisciplinary

Performance of non-aqueous amine hybrid solvents mixtures for CO2 capture: A study using a molecular-based model

Ismail I. I. Alkhatib et al.

JOURNAL OF CO2 UTILIZATION (2020)

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Article Engineering, Chemical

Extending the UNIFAC model for ionic liquid-solute systems by combining experimental and computational databases

Zhen Song et al.

AICHE JOURNAL (2020)

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Article Chemistry, Multidisciplinary

Catalyst-Electrolyte Interactions in Aqueous Reline Solutions for Highly Selective Electrochemical CO2 Reduction

Sahil Garg et al.

CHEMSUSCHEM (2020)

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Article Chemistry, Physical

Improving the CO2 solubility in aqueous mixture of MDEA and different polyamine promoters: The effects of primary and secondary functional groups

A. Hafizi et al.

JOURNAL OF MOLECULAR LIQUIDS (2020)

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Article Chemistry, Physical

Entropy models for the description of the solid-liquid regime of deep eutectic solutions

Laura J. B. M. Kollau et al.

JOURNAL OF MOLECULAR LIQUIDS (2020)

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Review Green & Sustainable Science & Technology

China's carbon capture, utilization and storage (CCUS) policy: A critical review

Kai Jiang et al.

RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2020)

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Article Environmental Sciences

Thermo-rheological characterization of Malic Acid based Natural Deep Eutectic Solvents

Yousef Elhamarnah et al.

SCIENCE OF THE TOTAL ENVIRONMENT (2020)

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Article Electrochemistry

Electrochemical CO2 reduction to formate on indium catalysts prepared by electrodeposition in deep eutectic solvents

Barbara Bohlen et al.

ELECTROCHEMISTRY COMMUNICATIONS (2020)

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Review Chemistry, Physical

Perspectives and guidelines on thermodynamic modelling of deep eutectic solvents

Ismail I. I. Alkhatib et al.

JOURNAL OF MOLECULAR LIQUIDS (2020)

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Review Chemistry, Multidisciplinary

The Nature of Carbon Dioxide in Bare Ionic Liquids

Marcileia Zanatta et al.

CHEMSUSCHEM (2020)

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Article Chemistry, Multidisciplinary

Superbase Ionic Liquid-Based Deep Eutectic Solvents for Improving CO2 Absorption

Hong Yan et al.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2020)

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Article Chemistry, Multidisciplinary

Systematic Screening of Deep Eutectic Solvents as Sustainable Separation Media Exemplified by the CO2 Capture Process

Zhen Song et al.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2020)

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Article Engineering, Chemical

Effects of ionicity and chain structure on the physicochemical properties of protic ionic liquids

Yuyan Deng et al.

AICHE JOURNAL (2020)

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Article Chemistry, Physical

Computation of gas solubilities in choline chloride urea and choline chloride ethylene glycol deep eutectic solvents using Monte Carlo simulations

Hirad S. Salehi et al.

JOURNAL OF MOLECULAR LIQUIDS (2020)

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Article Engineering, Chemical

Prediction of CO2 solubility in ionic liquids using machine learning methods

Zhen Song et al.

CHEMICAL ENGINEERING SCIENCE (2020)

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Article Chemistry, Physical

Physical absorption of CO2 in betaine/carboxylic acid-based Natural Deep Eutectic Solvents

Gabriella Siani et al.

JOURNAL OF MOLECULAR LIQUIDS (2020)

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Article Engineering, Chemical

Multilevel screening of ionic liquid absorbents for simultaneous removal of CO2 and H2S from natural gas

Jingwen Wang et al.

SEPARATION AND PURIFICATION TECHNOLOGY (2020)

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Article Engineering, Chemical

Solubility of CO2 and CH4 in sterically hindered amine-based deep eutectic solvents

Mohd Belal Haider et al.

SEPARATION AND PURIFICATION TECHNOLOGY (2020)

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Article Chemistry, Physical

Solvent dependency of carbon dioxide Henry's constant in aqueous solutions of choline chloride-ethylene glycol based deep eutectic solvent

Ali Reza Harifi-Mood et al.

JOURNAL OF MOLECULAR LIQUIDS (2020)

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Article Chemistry, Multidisciplinary

Choline-based eutectic mixtures as catalysts for effective synthesis of cyclic carbonates from epoxides and CO2

Martina Vagnoni et al.

JOURNAL OF CO2 UTILIZATION (2020)

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Article Thermodynamics

Screening of Ionic Liquids and Deep Eutectic Solvents for Physical CO2 Absorption by Soft-SAFT Using Key Performance Indicators

Ismail I. I. Alkhatib et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2020)

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Article Chemistry, Physical

Ionicity of deep eutectic solvents by Walden plot and pulsed field gradient nuclear magnetic resonance (PFG-NMR)

Yaqing Wang et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

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Article Chemistry, Physical

Is basicity the sole criterion for attaining high carbon dioxide capture in deep-eutectic solvents?

Shashi Kant Shukla et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

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Article Chemistry, Physical

Insights into the Nature of Eutectic and Deep Eutectic Mixtures

Monia A. R. Martins et al.

JOURNAL OF SOLUTION CHEMISTRY (2019)

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Article Chemistry, Multidisciplinary

A General and Facile Approach for the Electrochemical Reduction of Carbon Dioxide Inspired by Deep Eutectic Solvents

Dmitry V. Vasilyev et al.

CHEMSUSCHEM (2019)

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Article Chemistry, Physical

A quantitative prediction of the viscosity of amine based DESs using Sσ-profile molecular descriptors

Yacine Benguerba et al.

JOURNAL OF MOLECULAR STRUCTURE (2019)

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Article Energy & Fuels

Superbase/Acylamido-Based Deep Eutectic Solvents for Multiple-Site Efficient CO2 Absorption

Bin Jiang et al.

ENERGY & FUELS (2019)

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Article Engineering, Chemical

Carbon Dioxide Solubility in Phosphonium-Based Deep Eutectic Solvents: An Experimental and Molecular Dynamics Study

Jingwen Wang et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2019)

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Article Chemistry, Multidisciplinary

Activity modelling of the solid-liquid equilibrium of deep eutectic solvents

Laura J. B. M. Kollau et al.

PURE AND APPLIED CHEMISTRY (2019)

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Article Chemistry, Multidisciplinary

Inverted Deep Eutectic Solvents Based on Host-Guest Interactions

Dongkun Yu et al.

CHEMISTRY-AN ASIAN JOURNAL (2019)

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Article Biochemistry & Molecular Biology

The Role of Charge Transfer in the Formation of Type I Deep Eutectic Solvent-Analogous Ionic Liquid Mixtures

Dinis O. Abranches et al.

MOLECULES (2019)

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Article Chemistry, Applied

Assessing the pKa-Dependent Activity of Hydroxyl Hydrogen Bond Donors in the Organocatalyzed Cycloaddition of Carbon Dioxide to Epoxides: Experimental and Theoretical Study

Prapussorn Yingcharoen et al.

ADVANCED SYNTHESIS & CATALYSIS (2019)

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Article Multidisciplinary Sciences

Data-driven design of metal-organic frameworks for wet flue gas CO2 capture

Peter G. Boyd et al.

NATURE (2019)

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Article Chemistry, Physical

Triarylborane-Catalyzed Formation of Cyclic Organic Carbonates and Polycarbonates

Kori A. Andrea et al.

ACS CATALYSIS (2019)

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Article Engineering, Chemical

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

Fujian Liu et al.

AICHE JOURNAL (2019)

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Article Chemistry, Physical

Key factor governing the physicochemical properties and extent of proton transfer in protic ionic liquids: Delta pKa or chemical structure?

Muhammed Shah Miran et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)

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Article Chemistry, Multidisciplinary

Phenolic hydrogen bond donors in the formation of non-ionic deep eutectic solvents: the quest for type V DES

Dinis O. Abranches et al.

CHEMICAL COMMUNICATIONS (2019)

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Article Chemistry, Physical

What a difference a methyl group makes - probing choline-urea molecular interactions through urea structure modification

Liliana P. Silva et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)

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Article Chemistry, Multidisciplinary

A kinetic study of Zn halide/TBAB-catalysed fixation of CO 2 with styrene oxide in propylene carbonate

Abdul Rehman et al.

GREEN PROCESSING AND SYNTHESIS (2019)

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Article Chemistry, Multidisciplinary

Unusual temperature-promoted carbon dioxide capture in deep-eutectic solvents: the synergistic interactions

Shashi Kant Shukla et al.

CHEMICAL COMMUNICATIONS (2019)

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Article Engineering, Environmental

Deep eutectic solvents for CO2 capture from natural gas by energy and exergy analyses

Reza Haghbakhsh et al.

JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING (2019)

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Article Chemistry, Multidisciplinary

Carbon dioxide utilization in the efficient synthesis of carbamates by deep eutectic solvents (DES) as green and attractive solvent/catalyst systems

Iman Dindarloo Inaloo et al.

NEW JOURNAL OF CHEMISTRY (2019)

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Article Chemistry, Physical

Physicochemical properties of alkanolamine-choline chloride deep eutectic solvents: Measurements, group contribution and artificial intelligence prediction techniques

Idowu Adeyemi et al.

JOURNAL OF MOLECULAR LIQUIDS (2018)

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Article Chemistry, Physical

How Proton Transfer Equilibria Influence Ionic Liquid Properties: Molecular Simulations of Alkylammonium Acetates

Amir Taghavi Nasrabadi et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2018)

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Article Chemistry, Physical

Intricacies of Cation-Anion Combinations in Imidazolium Salt-Catalyzed Cycloaddition of CO2 Into Epoxides

Felix D. Bobbink et al.

ACS CATALYSIS (2018)

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Article Chemistry, Multidisciplinary

Computer-Aided Design of Ionic Liquids as Absorbent for Gas Separation Exemplified by CO2 Capture Cases

Jingwen Wang et al.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2018)

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Article Chemistry, Physical

Transport properties and intermolecular interactions in binary mixtures based on the protic ionic liquid ethylimidazolium triflate and ethylene glycol

Negin Yaghini et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)

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Article Chemistry, Physical

Intermolecular interactions upon carbon dioxide capture in deep-eutectic solvents

Shashi Kant Shukla et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)

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Article Chemistry, Multidisciplinary

Quantification of the liquid window of deep eutectic solvents

Laura J. B. M. Kollau et al.

CHEMICAL COMMUNICATIONS (2018)

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Article Engineering, Chemical

The Role of Water in CO2 Capture by Amine

Jie Yu et al.

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Ionicity of Protic Ionic Liquid: Quantitative Measurement by Spectroscopic Methods

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Efficient and practical organocatalytic system for the synthesis of cyclic carbonates from carbon dioxide and epoxides: 3-hydroxypyridine/tetra-n-butylammonium iodide

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DBU-Based Protic Ionic Liquids for CO2 Capture

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Enhanced CO2 uptake by intramolecular proton transfer reactions in amino-functionalized pyridine-based ILs

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Are Ionic Liquids Chemically Stable?

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Carbon Dioxide Capture Adsorbents: Chemistry and Methods

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Hydrophobic protic ionic liquids tethered with tertiary amine group for highly efficient and selective absorption of H2S from CO2

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Cooperative calcium-based catalysis with 1,8-diazabicyclo[5.4.0]-undec-7-ene for the cycloaddition of epoxides with CO2 at atmospheric pressure

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Deep eutectic solvents as attractive media for CO2 capture

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Investigation of solubilities of carbon dioxide in five levulinic acid-based deep eutectic solvents and their thermodynamic properties

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New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode

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Boronic Acids as Hydrogen Bond Donor Catalysts for Efficient Conversion of CO2 into Organic Carbonate in Water

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A computational study of the mechanistic insights into base catalysed synthesis of cyclic carbonates from CO2: bicarbonate anion as an active species

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Computer-Aided Design of Ionic Liquids as CO2 Absorbents

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Reduction of Carbon Dioxide to Formate at Low Overpotential Using a Superbase Ionic Liquid

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ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

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A theoretical study on mitigation of CO2 through advanced deep eutectic solvents

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Interfacial Properties of Deep Eutectic Solvents Regarding to CO2 Capture

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A detailed study of cholinium chloride and levulinic acid deep eutectic solvent system for CO2 capture via experimental and molecular simulation approaches

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PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

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Deep Eutectic Solvents (DESs) and Their Applications

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Superbase/cellulose: an environmentally benign catalyst for chemical fixation of carbon dioxide into cyclic carbonates

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Solubilities and thermodynamic properties of CO2 in choline-chloride based deep eutectic solvents

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NMR studies of ionic liquids: Structure and dynamics

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CURRENT OPINION IN COLLOID & INTERFACE SCIENCE (2013)

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Solubility of carbon dioxide in a choline chloride-ethylene glycol based deep eutectic solvent

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THERMOCHIMICA ACTA (2013)

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ZnBr2-BASED CHOLINE CHLORIDE IONIC LIQUID FOR EFFICIENT FIXATION OF CO2 TO CYCLIC CARBONATE

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Tuning the Basicity of Ionic Liquids for Equimolar CO2 Capture

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Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2

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Ionic Liquid-Mediated Selective Conversion of CO2 to CO at Low Overpotentials

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Equimolar CO2 capture by imidazolium-based ionic liquids and superbase systems

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On the concept of ionicity in ionic liquids

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Amine Scrubbing for CO2 Capture

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SCIENCE (2009)

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ZnCl2/phosphonium halide:: An efficient Lewis acid/base catalyst for the synthesis of cyclic carbonate

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Novel solvent properties of choline chloride/urea mixtures

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