Molecular approach about the effect of water on the electrochemical behaviour of Ag+ ions in urea-choline chloride-water mixture

Bezerra-Neto, João R.; Bezerra, Lucas Lima; Sousa, Natalia G.; Santos, Luis Paulo Mourão dos; Marinho, Emmanuel Silva; Monteiro, Norberto K.V.; Correia, Adriana N.; Lima‐Neto, Pedro de

doi:10.1007/s00894-020-04587-y

Cited by 6 publications

(4 citation statements)

References 46 publications

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“…Much effort has been put into understanding the influence of water on the micro- and nanostructures of DESs [ 34 , 66 , 109 , 287 , 291 , 292 , 293 , 294 , 295 , 296 , 297 , 298 ]. Using MD simulations along with NMR spectroscopy, Di Pietro et al investigated ChCl:urea and ChCl:glycolic acid DESs upon aqueous dilution [ 34 ].…”

Section: Main Directions Of Investigationsmentioning

confidence: 99%

“…A large number of studies have focused on the structure and properties of reline in the presence of water [ 109 , 286 , 292 , 295 , 298 , 299 ]. Kumari et al demonstrated that increasing hydration levels leads to the reduction in interactions between the components of reline while water preferentially solvates Cl − anions, as well as hydroxyl and ammonium groups of choline cations [ 286 ].…”

Section: Main Directions Of Investigationsmentioning

confidence: 99%

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Computer Simulations of Deep Eutectic Solvents: Challenges, Solutions, and Perspectives

Tolmachev

Lukasheva

Рамазанов

et al. 2022

IJMS

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Deep eutectic solvents (DESs) are one of the most rapidly evolving types of solvents, appearing in a broad range of applications, such as nanotechnology, electrochemistry, biomass transformation, pharmaceuticals, membrane technology, biocomposite development, modern 3D-printing, and many others. The range of their applicability continues to expand, which demands the development of new DESs with improved properties. To do so requires an understanding of the fundamental relationship between the structure and properties of DESs. Computer simulation and machine learning techniques provide a fruitful approach as they can predict and reveal physical mechanisms and readily be linked to experiments. This review is devoted to the computational research of DESs and describes technical features of DES simulations and the corresponding perspectives on various DES applications. The aim is to demonstrate the current frontiers of computational research of DESs and discuss future perspectives.

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Section: Main Directions Of Investigationsmentioning

confidence: 99%

Section: Main Directions Of Investigationsmentioning

confidence: 99%

Computer Simulations of Deep Eutectic Solvents: Challenges, Solutions, and Perspectives

Tolmachev

Lukasheva

Рамазанов

et al. 2022

IJMS

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show abstract

“…Much effort has been put into understanding the influence of water on the microand nanostructures of DESs [27,49,92,267,[271][272][273][274][275][276]. Using MD simulations along with NMR spectroscopy, Di Pietro et al investigated ChCl:urea and ChCl:glycolic acid DESs upon aqueous dilution [27].…”

Section: Water Effect On Des Micro-and Nanostructurementioning

confidence: 99%

“…A large number of studies have focused on the structure and properties of reline in the presence of water [92,266,272,275,278,279]. Kumari et al demonstrated that increasing hydration levels leads to the reduction of interactions between the components of reline while water preferentially solvates Cl − anions as well as hydroxyl and ammonium groups of choline cations [266].…”

Section: Effects Of Water On Relinementioning

confidence: 99%

Computer Simulations of Deep Eutectic Solvents. Challenges, Solutions, and Perspectives

Tolmachev¹,

Lukasheva²,

Рамазанов³

et al. 2021

Preprint

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Deep eutectic solvents (DESs) are one of the most rapidly evolving types of solvents, appearing in a broad range of applications such as nanotechnology, electrochemistry, biomass transformation, pharmaceuticals, membrane technology, biocomposite development, modern 3D-printing, and many others. The range of their applicability continues to expand, which demands the development of new DESs with improved properties. To do so requires an understanding of the fundamental relationship between the structure and properties of DESs. Computer simulation and machine learning techniques provide a fruitful approach as they can provide predictions, reveal physical mechanisms and readily be linked to experiments. This review is devoted to the computational research of DESs and describes technical features of DES simulations and the corresponding perspectives on various DES applications. The aim is to demonstrate the current frontiers of computational research of DESs and discuss future perspectives.

show abstract

Effect of KBr on electrodeposition of Ag in choline chloride-ethylene glycol deep eutectic solvents

Zhan

Zhang

et al. 2023

Ionics

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Molecular approach about the effect of water on the electrochemical behaviour of Ag+ ions in urea-choline chloride-water mixture

Cited by 6 publications

References 46 publications

Computer Simulations of Deep Eutectic Solvents: Challenges, Solutions, and Perspectives

Computer Simulations of Deep Eutectic Solvents: Challenges, Solutions, and Perspectives

Computer Simulations of Deep Eutectic Solvents. Challenges, Solutions, and Perspectives

Effect of KBr on electrodeposition of Ag in choline chloride-ethylene glycol deep eutectic solvents

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