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Deep Eutectic Solvents Meet Non-Aqueous Cosolvents: A Modeling and Simulation Perspective-A Tutorial Review.
J Chem Eng Data
January 2025
Department of Chemical and Geological Sciences, University of Cagliari, 09042 Monserrato, Italy.
Deep eutectic solvents (DESs) have recently gained attention due to their tailorable properties and versatile applications in several fields, including green chemistry, pharmaceuticals, and energy storage. Their tunable properties can be enhanced by mixing DESs with cosolvents such as ethanol, acetonitrile, and water. DESs are structurally complex, and molecular modeling techniques, including quantum mechanical calculations and molecular dynamics simulations, play a crucial role in understanding their intricate behavior when mixed with cosolvents.
View Article and Find Full Text PDFMolecular Insights into the Adsorption of Deposit Control Additives from Hydrocarbon Fuels.
Langmuir
January 2025
Department of Mechanical Engineering, Imperial College London, South Kensington Campus, London SW7 2BX, United Kingdom.
Engine deposits can reduce performance and increase emissions, particularly for modern direct-injection fuel delivery systems. Surfactants known as deposit control additives (DCAs) adsorb and self-assemble on the surface of deposit precursors to keep them suspended in the fuel. Here, we show how molecular simulations can be used to virtually screen the ability of surfactants to bind to polyaromatic hydrocarbons, comprising a major class of carbonaceous deposits.
View Article and Find Full Text PDFGlycerol-Derived Water-Lean Amines for Post-Combustion CO2 Capture: The Improvement in Capacity and Viscosity.
ChemSusChem
January 2025
Dalian University of Technology, State Key Laboratory of Fine Chemicals, CHINA.
Water-lean absorbents are regarded as a new generation of post-combustion CO2 capture technology that could significantly relieve those drawbacks posed by traditional aqueous alkanolamines. However, the exponential increase in viscosity during CO2 absorption remains an urgent issue that needs to be resolved before their practical deployment. In this work, novel water-lean amines based on biomass glycerol have been devised as single-component CO2 absorbents with low viscosity (79~110 cP at 25 oC, 29~39 cP at 40 oC) under high capacity (12~18 wt% at 25 oC, 10~17 wt% at 40 oC).
View Article and Find Full Text PDF2-Amidophenolate and 2-Iminosemiquinone Radical-Coordinated Vanadyl Complex as Catholyte for Non-Aqueous Redox-Flow Batteries.
Chem Asian J
January 2025
Indian Institute of Technology Guwahati, Department of Chemistry, Department of Chemistry, 781039, Guwahati, INDIA.
Fulfilment of energy demand by utilizing renewable energy sources that do not contribute to the production of greenhouse gases is a step forward in mitigating global warming. However, with the energy sources being intermittent in nature, renewable energy needs to be stored effectively on a grid scale. In this context, the development of redox-flow batteries has emerged as a promising technology where charging and discharging processes are accomplished by the redox shuttling of the electrolytes, namely anolytes and catholytes.
View Article and Find Full Text PDFCapillary electrophoresis separations with Betaine:Urea, a deep eutectic solvent as the separation medium.
Anal Chim Acta
January 2025
School of Pharmacy, Jiangsu University, Zhenjiang, 212013, PR China. Electronic address:
Background: Capillary electrophoresis (CE) is a highly versatile separation technique widely used in analytical chemistry. Traditionally, CE can be categorized as either aqueous or non-aqueous systems based on the buffer solvents employed. For decades, non-aqueous CE has been predominantly associated with the use of organic solvents, a perception deeply ingrained in the scientific community.
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