Experimental and computational assessment of the physicochemical properties of choline chloride/ ethylene glycol deep eutectic solvent in 1:2 and 1:3 mole fractions and 298.15–398.15 K

Moradi, Hassan; Farzi, Nahid

doi:10.1016/j.molliq.2021.116669

Cited by 24 publications

(3 citation statements)

References 36 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To go deep inside the solvent structure at the atomic level, one needs to choose an appropriate forcefield to portrait the interaction of particles in the simulation box. Previous studies [27,28] suggested the FFM3 model from the work of Ferreira et al [29] and found it to be the most suitable forcefield for pure ChlCl:Eg in 1:2 and 1:3 molar ratios and for their mixture with LiPF6 and discussed the thermophysical, transport, and structural properties of the mixtures mentioned above. These works encourage us to investigate the same DES with a 1:4 molar ratio through experiment and MD simulation studies.…”

Section: Resultsmentioning

confidence: 99%

“…After careful consideration of the findings reported by Moradi et al [27,28], we performed a charge scaling in this case study. However, our results did not yield satisfactory results for certain thermophysical properties, particularly the diffusion coefficient.…”

Section: Resultsmentioning

confidence: 99%

“…The optimized value for β (t) indicates the best region for calculating the diffusion coefficient. In a study by Moradi et al, it was observed that the diffusion coefficient of ethylene glycol (Eg) molecules in ChlCl:2Eg and ChlCl:3Eg mixtures peaked and rose as the number of Eg molecules in the solutions increased [27]. From their study, it is understandable that choline [Chl+] has the lowest diffusion coefficient because of its larger size than ethylene glycol (Eg) and chloride [Cl-] ions.…”

Section: Thermophysical Propertiesmentioning

confidence: 99%

See 2 more Smart Citations

Thermophysical and Transport Properties of Deep Eutectic Solvent Mixtures Containing Pure Choline Chloride/Ethylene Glycol with a Mole Ratio of 1:4 and Mixed with LiPF6 for Application in Redox-flow Batteries

Zargari Shastan,

Nowroozi

2023

Preprint

View full text Add to dashboard Cite

Redox-flow batteries are rechargeable batteries that store energy in two liquid electrolytes, separated by a membrane. During charging and discharging, the electrolytes flow through the membrane and undergo chemical reactions that generate or consume electrical energy. These batteries are known for their scalability and long cycle life and are versatile energy storage technologies developed to enhance efficiency and lower costs. Deep Eutectic Solvents (DES) are eco-friendly alternatives to traditional electrolytes, and their properties have been studied to improve the performance of redox-flow batteries. We investigated choline chloride/ethylene glycol (ChlCl/Eg) mixtures with LiPF6 salt at four concentrations through experimental and MD simulations. The thermophysical and transport properties of the mixture, including density, diffusion coefficient, viscosity, and ionic conductivity, were calculated across a temperature range of 298.15–398.5 K. Our findings indicate that an increase in salt concentration leads to a decrease in diffusion coefficients and ionic conductivity, while increasing the viscosity of the deep eutectic solvent. This research provides valuable insights into the behavior of DES mixtures and can aid in the design and optimization of DES-based processes for use in redox-flow batteries.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Thermophysical Propertiesmentioning

confidence: 99%

See 1 more Smart Citation

Thermophysical and Transport Properties of Deep Eutectic Solvent Mixtures Containing Pure Choline Chloride/Ethylene Glycol with a Mole Ratio of 1:4 and Mixed with LiPF6 for Application in Redox-flow Batteries

Zargari Shastan,

Nowroozi

2023

Preprint

View full text Add to dashboard Cite

show abstract

Estimation of density and viscosity of deep eutectic solvents: Experimental and machine learning approach

Patel,

Suthar,

Balsora

et al. 2024

Asia-Pacific J Chem Eng

View full text Add to dashboard Cite

Deep eutectic solvents (DESs) are increasingly recognized as sustainable alternatives suitable for a range of industrial applications. A precise comprehension of their properties is important for progress in science and engineering. In this study, we synthesized four novel ternary DESs using mandelic acid and measured their densities and viscosities at temperatures ranging from 298 to 353 K. Subsequently, an artificial neural network model was developed to predict DES density and viscosity based on temperature, critical properties, acentric factor, and molar ratio. The neural network parameters were optimized using experimental data from synthesized DESs and literature sources, both collectively over 500 data points for density and viscosity. Additionally, we investigated the influence of input parameters on model accuracy and assessed their significance. The results show that the average percentage relative error was 0.501 for density and 4.81 for viscosity. This research helps advance science and engineering applications of DESs.

show abstract

Comparative assessment of Ni–Co coatings obtained from a deep eutectic solvent, choline chloride-ethylene glycol, and water by electroplating

Barrera

Rodríguez

Gómez

2023

J Solid State Electrochem

View full text Add to dashboard Cite

Alloy electroplating using deep eutectic solvents (DES), compared to aqueous electrolytes, has essential benefits in a wide potential range, the high solubility of metal salts (including chlorides and oxides), and an environmentally friendly alternative. This research aimed to compare the coatings obtained by electrolysis of the Ni–Co alloy conventionally from an aqueous solution against the electroplating obtained in 2:1 ethylene glycol-choline chloride. The electrochemical behavior was studied through potentiodynamic polarization kinetic analysis carried out complying with Abner’s rules for alloy deposits; hydrodynamic conditions were modified, keeping the temperature at 60 °C and the salt concentration in both baths constant. As a result, nickel electrolysis has been carried out successfully by taking advantage of the benefits of using DES in energy consumption with 80% efficiency compared to water as a solvent under the same conditions. The composition and morphology of Ni–Co alloy coatings were characterized by scanning electron microscopy (SEM/EDS), and corrosion resistance was investigated by potentiodynamic polarization and electrochemical impedance (EIS). Coatings were obtained for both electrolytic baths with a chemical composition within the range of the alloy but with a higher cobalt content in the deposits obtained in water; in contrast, the distribution of the Ni–Co alloy was more homogeneous with changes in morphology and crystallization in the deposits obtained from the DES bath. The coatings’ anti-corrosion performance showed that the Co content difference increases the corrosion resistance of the Ni–Co alloy obtained from aqueous electrolytes compared to deposits obtained from DES.

show abstract

Experimental and computational assessment of the physicochemical properties of choline chloride/ ethylene glycol deep eutectic solvent in 1:2 and 1:3 mole fractions and 298.15–398.15 K

Cited by 24 publications

References 36 publications

Thermophysical and Transport Properties of Deep Eutectic Solvent Mixtures Containing Pure Choline Chloride/Ethylene Glycol with a Mole Ratio of 1:4 and Mixed with LiPF6 for Application in Redox-flow Batteries

Thermophysical and Transport Properties of Deep Eutectic Solvent Mixtures Containing Pure Choline Chloride/Ethylene Glycol with a Mole Ratio of 1:4 and Mixed with LiPF6 for Application in Redox-flow Batteries

Estimation of density and viscosity of deep eutectic solvents: Experimental and machine learning approach

Comparative assessment of Ni–Co coatings obtained from a deep eutectic solvent, choline chloride-ethylene glycol, and water by electroplating

Contact Info

Product

Resources

About