Low-cost temperature transition mixtures (TTM) based on ethylene glycol/potassium hydroxide as reversible CO2 sorbents

Costamagna, Marcello; Micheli, Eleonora; Canale, Valentino; Ciulla, Michele; Siani, Gabriella; Profio, Pietro Di; Tiecco, Marcello; Ciancaleoni, Gianluca

doi:10.1016/j.molliq.2021.117180

Cited by 11 publications

(8 citation statements)

References 42 publications

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“…On the basis of the above results, the possible absorption mechanism by [DBUH][4-F-PhO]-EG or [DBUH][4-F-PhO]-4-F-PhOH-EG can be obtained, which is shown in Scheme . In the first step, the [4-F-PhO] − reacts with EG, which is an acid–base reaction, forming the EG-based alkoxide anion HO–CH 2 –CH 2 –O – . Then, the alkoxide will react with CO 2 to form the EG-based carbonate.…”

Section: Resultsmentioning

confidence: 99%

“…Three new peaks can be found at 61.0 (C-2′), 66.2 (C-3′), and 157.7 (C-4′) ppm in the 13 C NMR spectra after capture (Figure 2b), and the peak of the carbon (C-a) attached to the O atom of the [4-F-PhO] − anion shifts obviously to upfield from 158.6 to 154.9 ppm. The new hydrogen and carbon peaks mentioned above can be ascribed to the carbonate species formed between CO 2 and EG, 35,40,48 suggesting that CO 2 reacts with EG in the [DBUH][4-F-PhO]/EG (1:3) solvent. The signal at 157.7 (C-4′) ppm is the carbonyl carbon of the EG-based carbonate.…”

Section: Synthesis Of [Dbuh][4-f-phomentioning

confidence: 98%

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Effect of Hydrogen Bonds on CO₂ Capture by Functionalized Deep Eutectic Solvents Derived from 4-Fluorophenol

Wang

Chen

et al. 2023

ACS Sustainable Chem. Eng.

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Deep eutectic solvents (DESs) have received a great amount of attention for CO 2 uptake due to their unique properties. Here, deep eutectic solvents (DESs) based on 4-fluorophenol-derived superbase ionic liquid are studied for CO 2 capture. The ionic liquid used is [DBUH][4-F-PhO], formed by 1,8-diazabicyclo[5.4.0]undecane-7-ene (DBU) and 4-fluorophenol (4-F-PhOH). The DESs are obtained by mixing [DBUH][4-F-PhO] with ethylene glycol (EG) or 4-F-PhOH. Surprisingly, [DBUH][4-F-PhO]-EG DESs present a much higher CO 2 capacity (∼1.0 mol CO 2 /mol solvent) than [DBUH][4-F-PhO]-4-F-PhOH (∼0.10 mol CO 2 /mol solvent) at 25 °C and 1.0 atm. However, after EG is added into [DBUH][4-F-PhO]-4-F-PhOH, the ternary solvents [DBUH][4-F-PhO]-4-F-PhOH-EG exhibit an unexpected high capacity, although both EG and [DBUH][4-F-PhO]-4-F-PhOH exhibit a low capacity. Moreover, the capacities of ternary solvents [DBUH][4-F-PhO]-4-F-PhOH-EG decrease with increasing concentration of 4-F-PhOH in the solvents. NMR and Fourier transform infrared (FTIR) results demonstrate that CO 2 reacts with EG in [DBUH][4-F-PhO]-EG or [DBUH][4-F-PhO]-4-F-PhOH-EG by forming a carbonate species, while [DBUH][4-F-PhO]-4-F-PhOH binary mixtures are chemically inert to CO 2 . NMR analysis and theoretical calculations evidence that the strength of hydrogen bonds between [4-F-PhO] − and hydrogen-bond donors (EG and 4-F-PhOH) governs the CO 2 absorption behaviors, and the strength of the hydrogen bond between the anion [4-F-PhO] − and 4-F-PhOH is much stronger than that between [4-F-PhO] −and EG. Moreover, the desorption behaviors of the DESs studied can also be controlled by tuning the strength of the hydrogen bonds in the solvents. This work highlights the important role of hydrogen bonds in CO 2 capture, which may be useful for the rational design of efficient solvents for carbon capture in the future.

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Section: Resultsmentioning

confidence: 99%

Section: Synthesis Of [Dbuh][4-f-phomentioning

confidence: 98%

Effect of Hydrogen Bonds on CO₂ Capture by Functionalized Deep Eutectic Solvents Derived from 4-Fluorophenol

Wang

Chen

et al. 2023

ACS Sustainable Chem. Eng.

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“…A similar mixture of EG and KOH-based solvents has been previously explored as low temperature-transition mixtures. 8 This creates a scope for improving the process efficiency by tailoring the formulation, possibly by incorporating other high CO 2 solubility solvents such as ionic liquids (ILs) into the electrolyte. 9 −11 Understanding ion aggregation and the degree of dissociation is also important to map ion availability for the CO 2 capture reaction.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Therefore, it is necessary to employ a nonaqueous hydrogen bonding solvent such as EG. A similar mixture of EG and KOH-based solvents has been previously explored as low temperature-transition mixtures . This creates a scope for improving the process efficiency by tailoring the formulation, possibly by incorporating other high CO 2 solubility solvents such as ionic liquids (ILs) into the electrolyte. − …”

Section: Introductionmentioning

confidence: 99%

Effect of K⁺ Force Fields on Ionic Conductivity and Charge Dynamics of KOH in Ethylene Glycol

Thorat,

Chauhan,

Sartape

et al. 2024

J. Phys. Chem. B

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Predicting ionic conductivity is crucial for developing efficient electrolytes for energy storage and conversion and other electrochemical applications. An accurate estimate of ionic conductivity requires understanding complex ion−ion and ion− solvent interactions governing the charge transport at the molecular level. Molecular simulations can provide key insights into the spatial and temporal behavior of electrolyte constituents. However, such insights depend on the ability of force fields to describe the underlying phenomena. In this work, molecular dynamics simulations were leveraged to delineate the impact of force field parameters on ionic conductivity predictions of potassium hydroxide (KOH) in ethylene glycol (EG). Four different force fields were used to represent the K + ion. Diffusion-based Nernst−Einstein and correlation-based Einstein approaches were implemented to estimate the ionic conductivity, and the predicted values were compared with experimental measurements. The physical aspects, including ion-aggregation, charge distribution, cluster correlation, and cluster dynamics, were also examined. A force field was identified that provides reasonably accurate Einstein conductivity values and a physically coherent representation of the electrolyte at the molecular level.

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“…In general, a DES is a mixture of hydrogen bond donors and acceptors (HBDs and HBAs, respectively) whose melting point is much lower than the value expected for an ideal mixture [13]. They recently found application in various fields, such as organic synthesis [14][15][16], metal deposition [17], extractive desulfurization [18], and CO 2 capture [19,20]. DESs are usually prepared by heating (with conventional heating or microwave reactors [21]) the mixture of the precursors until a homogeneous liquid mixture is obtained, or in some cases by freeze-drying or evaporating the solvent in which the desired components are dissolved [22].…”

Section: Introductionmentioning

confidence: 99%

Preparation and Characterization of Zinc(II)-Based Lewis/Brønsted Acidic Deep Eutectic Solvents

Pelosi,

Quaranta,

Rollo

et al. 2023

Molecules

Self Cite

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Lewis/Brønsted acidic deep eutectic solvents (LBDESs) are a recent class of solvents that combine the two types of acidity. In some cases, this synergy leads to enhanced catalytic properties for many reactions and applications. For this reason, it is important to discover more LBDESs. In this work, we prepared and characterized four different zinc(II)-based LBDESs, mixing ZnCl2 and various Brønsted acids: acetic, glycolic, levulinic, and formic acids. Apart from the latter, for which the corresponding DES is not thermally stable, the samples have been characterized in terms of density, viscosity, and conductivity. Notably, as zinc(II) is a diamagnetic metal, all of them are suitable for NMR spectroscopy, for example, for kinetic and mechanistic studies.

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Low-cost temperature transition mixtures (TTM) based on ethylene glycol/potassium hydroxide as reversible CO2 sorbents

Cited by 11 publications

References 42 publications

Effect of Hydrogen Bonds on CO₂ Capture by Functionalized Deep Eutectic Solvents Derived from 4-Fluorophenol

Effect of Hydrogen Bonds on CO₂ Capture by Functionalized Deep Eutectic Solvents Derived from 4-Fluorophenol

Effect of K⁺ Force Fields on Ionic Conductivity and Charge Dynamics of KOH in Ethylene Glycol

Preparation and Characterization of Zinc(II)-Based Lewis/Brønsted Acidic Deep Eutectic Solvents

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Low-cost temperature transition mixtures (TTM) based on ethylene glycol/potassium hydroxide as reversible CO2 sorbents

Cited by 11 publications

References 42 publications

Effect of Hydrogen Bonds on CO2 Capture by Functionalized Deep Eutectic Solvents Derived from 4-Fluorophenol

Effect of Hydrogen Bonds on CO2 Capture by Functionalized Deep Eutectic Solvents Derived from 4-Fluorophenol

Effect of K+ Force Fields on Ionic Conductivity and Charge Dynamics of KOH in Ethylene Glycol

Preparation and Characterization of Zinc(II)-Based Lewis/Brønsted Acidic Deep Eutectic Solvents

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Product

Resources

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Effect of Hydrogen Bonds on CO₂ Capture by Functionalized Deep Eutectic Solvents Derived from 4-Fluorophenol

Effect of Hydrogen Bonds on CO₂ Capture by Functionalized Deep Eutectic Solvents Derived from 4-Fluorophenol

Effect of K⁺ Force Fields on Ionic Conductivity and Charge Dynamics of KOH in Ethylene Glycol