Reaching machine learning leverage to advance performance of electrocatalytic CO conversion in non-aqueous deep eutectic electrolytes.

Deep eutectic electrolytes (DEEs) show promise for future electrochemical systems due to their adjustable buffer capacities. This study utilizes machine learning algorithms to analyse the carbon dioxide reduction reaction (CORR) in DEEs with a buffer capacity of approximately 10.21 mol/pH.

Extraction of Pyrrole from Its Mixture with -Hexadecane Using Protic Ionic Liquids.

The removal of nitrogen compounds from fuel via the conventional method, which is hydrodenitrogenation, is costly and involves catalysts and energy-intensive conditions (600 K and 300 atm). Recently, ionic liquids (ILs) have emerged as a promising alternative solvent for the denitrogenation of fuel oil. However, certain ILs are expensive and challenging to synthesize, prompting the exploration of protic ionic liquid (PIL) substitutes, which offer similar advantages to ILs.

Extraction of Pyrrole from Its Mixture with -Hexadecane Using Ionic Liquids and Their Binary Mixtures.

The conventional hydrodenitrogenation method is expensive and involves the use of catalysts and harsh procedures. In the last few years, ionic liquids (ILs) have gained attention as a promising alternative solvent for fuel oil extractive denitrogenation. In this work, the Conductor-like Screening Model for Real Solvents (COSMO-RS) was used to screen 173 potential ILs as solvents for fuel oil.

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

This study investigates the effect of using water as a low-viscosity component in ternary amine-based deep eutectic solvents (DESs) on the physicochemical properties, thermal stability, and CO2 absorption capacity of the resulting DESs. It should be emphasized that water is a component of the ternary DES. The effect of water content in the DES, type of hydrogen bond acceptors (HBAs), hydrogen bond donors (HBDs), and HBA:HBD ratio on the above parameters was investigated.

Bifunctional Ionic Deep Eutectic Electrolytes for CO Electroreduction.

CO is a low-cost monomer capable of promoting industrially scalable carboxylation reactions. Sustainable activation of CO through electroreduction process (ECOR) can be achieved in stable electrolyte media. This study synthesized and characterized novel diethyl ammonium chloride-diethanolamine bifunctional ionic deep eutectic electrolyte (DEACl-DEA), using diethanolamine (DEA) as hydrogen bond donors (HBD) and diethyl ammonium chloride (DEACl) as hydrogen bond acceptors (HBA).

Separation of Benzene and Cyclohexane Using Eutectic Solvents with Aromatic Structure.

The separation of benzene and cyclohexane is a challenging process in the petrochemical industry, mainly because of their close boiling points. Extractive separation of the benzene-cyclohexane mixture has been shown to be feasible, but it is important to find solvents with good extractive performance. In this work, 23 eutectic solvents (ESs) containing aromatic components were screened using the predictive COSMO-RS and their respective performance was compared with other solvents.

Electroreduction of CO and Quantification in New Transition-Metal-Based Deep Eutectic Solvents Using Single-Atom Ag Electrocatalyst.

Deep eutectic solvents (DESs) are efficient media for CO capture, and an electroreduction process using the deterministic surface of single-atom electrocatalysts is a facile way to screen gas absorption capacities of novel DESs. Using newly prepared transition-metal-based DESs indexed as TDESs, the interfacial mechanism, detection, quantification, and coordination modes of CO were determined for the first time. The CO has a minimum detection time of 300 s, whereas 500 s of continous ambient CO saturation provided ZnCl/ethanolamine (EA) (1:4) and CoCl/EA (1:4) TDESs with a maximum CO absorption capacity of 0.

Simultaneous Extraction of Sulfur and Nitrogen Compounds from Model Diesel Fuel Using Neoteric Green Solvents.

Removal of nitrogen and sulfur compounds from diesel fuel is essential to comply with the increasing stringent regulations. The extraction capability of two deep eutectic solvents, namely, tetrabutylphosphoniumbromide/ethylene glycol, TBPBr/EG, with molar ratio 1:2, and tetrabutylammoniumbromide/ethylene glycol, TBABr/EG, with molar ratio 1:2, in simultaneously extracting basic nitrogen, nonbasic nitrogen, and sulfur compounds represented by pyridine, indoline, and dibenzothiophene (DBT) from -hexadecane, was investigated. Two pseudo-ternary phase diagrams of (TBPBr/EG + (pyridine + indoline + DBT) + -hexadecane) and (TBABr/EG + (pyridine + indoline + DBT) + -hexadecane) were predicted via a conductor-like screening model for real solvents (COSMO-RS) and experimentally validated at 298.

Utilization of Deep Eutectic Solvents to Reduce the Release of Hazardous Gases to the Atmosphere: A Critical Review.

The release of certain gases to the atmosphere is controlled in many countries owing to their negative impact on the environment and human health. These gases include carbon dioxide (CO), sulfur oxides (SOx), nitrogen oxides (NOx), hydrogen sulfide (HS) and ammonia (NH). Considering the major contribution of greenhouse gases to global warming and climate change, mitigation of these gases is one of the world's primary challenges.

Performance of -Toluenesulfonic Acid-Based Deep Eutectic Solvent in Denitrogenation: Computational Screening and Experimental Validation.

Deep eutectic solvents (DESs) are green solvents developed as an alternative to conventional organic solvents and ionic liquids to extract nitrogen compounds from fuel oil. DESs based on -toluenesulfonic acid (PTSA) are a new solvent class still under investigation for extraction/separation. This study investigated a new DES formed from a combination of tetrabutylphosphonium bromide (TBPBr) and PTSA at a 1:1 molar ratio.

Polyethylene glycol-based deep eutectic solvents as a novel agent for natural gas sweetening.

Deep eutectic solvents (DESs) have received significant attention as potential extracting agents in recent years due to their favorable characteristics including low cost, easy preparation and environmentally safe starting materials. Experimentally screening for highly efficient DESs meeting various requirements for natural gas sweetening remains a challenging task. Thus, an extensive database of estimated Henry's law constants (Hi) and solubilities (xi) of CO2 in 170 different DESs at 25°C has been constructed using the COSMO-RS method to select potential DESs.

Characterization of Ternary Blends of Vegetable Oils with Optimal ω-6/ω-3 Fatty Acid Ratios.

An optimal ratio of omega-6 to omega-3 (ω-6/ω-3) polyunsaturated fatty acids (PUFA) in the diet prevents the pathogenesis of many inflammatory diseases. This study aimed to synthesize and characterize ternary oil blends with optimal ω-6/ω-3 ratios using olive (OL), sunflower (SU), and cress (CR) oils. The oxidative stability, thermal profile, fatty acid (FA) and tocopherol compositions, and the physicochemical properties of the blends were used to determine their quality.

Optimized intermolecular potential for nitriles based on Anisotropic United Atoms model.

An extension of the anisotropic united atoms intermolecular potential model is proposed for nitriles. The electrostatic part of the intermolecular potential is calculated using atomic charges obtained by a simple Mulliken population analysis. The repulsion-dispersion interaction parameters for methyl and methylene groups are taken from transferable AUA4 literature parameters [Ungerer et al.