Machine-learning-supported analysis of synergistic extraction systems towards enhanced selectivity of lithium extraction from brines DOI
Natalia Kireeva, В. Е. Баулин, А. Yu. Tsivadze

et al.

Reaction Chemistry & Engineering, Journal Year: 2024, Volume and Issue: 10(3), P. 625 - 645

Published: Dec. 16, 2024

From high-entropy systems to quasi-stable equilibrium of simple complementary components.

Language: Английский

Sustainable Extraction of Critical Minerals from Waste Batteries: A Green Solvent Approach in Resource Recovery DOI Creative Commons
Afzal Ahmed Dar,

Zhi Chen,

Gaixia Zhang

et al.

Batteries, Journal Year: 2025, Volume and Issue: 11(2), P. 51 - 51

Published: Jan. 28, 2025

This strategic review examines the pivotal role of sustainable methodologies in battery recycling and recovery critical minerals from waste batteries, emphasizing need to address existing technical environmental challenges. Through a systematic analysis, it explores application green organic solvents mineral processing, advocating for establishing eco-friendly techniques aimed at clipping boosting resource utilization. The escalating demand shortage essential including copper, cobalt, lithium, nickel are comprehensively analyzed forecasted 2023, 2030, 2040. Traditional extraction techniques, hydrometallurgical, pyrometallurgical, bio-metallurgical processes, efficient but pose substantial hazards contribute scarcity. concept arises as crucial step towards ecological conservation, integrating practices lessen footprint extraction. advancement solvents, notably ionic liquids deep eutectic is examined, highlighting their attributes minimal toxicity, biodegradability, superior efficacy, thus presenting great potential transforming sector. emergence such palm oil, 1-octanol, Span 80 recognized, with advantageous low solubility adaptability varying temperatures. Kinetic (mainly temperature) data different extracted previous studies computed machine learning techniques. coefficient determination mean squared error reveal accuracy experimental data. In essence, this study seeks inspire ongoing efforts navigate impediments, embrace technological advancements artificial intelligence, foster an ethos stewardship metals batteries.

Language: Английский

Citations

2

eutXG: A Machine-Learning Model to Understand and Predict the Melting Point of Novel X-Bonded Deep Eutectic Solvents DOI
Lucas B. Ayres, M. Bandara, Colin D. McMillen

et al.

ACS Sustainable Chemistry & Engineering, Journal Year: 2024, Volume and Issue: 12(30), P. 11260 - 11273

Published: July 16, 2024

We present the application of an extreme gradient boosting model (eutXG) to predict melting point (MP) deep eutectic solvents (DES). The is based on XGBoost, a decision tree ensemble designed be highly scalable that enables superior training speed and prediction accuracy. selected model─trained with molecular fingerprints, molar ratios, chemical descriptors─enabled MPs DES average accuracy 97.6%, which represents difference just ±2.4% respect values reported in literature. Using SHapley Additive exPlanations (SHAP), further insights into relative importance different inputs used train machine learning were identified. Moreover, generalization ability eutXG was critically assessed by comparing predicted vs experimentally determined MP series novel halogen bonding, developed mixing tetraalkylammonium triiodide salts (NPe4I3 or NHex4I3) organoiodines, such as 1,2-diiodotetrafluorobenzene (o-F4DIB), 1,3-diiodotetrafluorobenzene (m-F4DIB), 2,5-diiodothiophene (2,5-DIT), demonstrating its actual only 2 K. Our results not reinforce having (at least some) representative data for step increase model's predictions but also demonstrate accelerate development applications this entirely new class hydrophobic DES, potentially impacting wide range fields from pharmaceuticals agrochemicals.

Language: Английский

Citations

6

Emerging deep eutectic solvents for food waste valorization to achieve sustainable development goals: Bioactive extractions and food applications DOI

Sayani Mavai,

Aarti Bains,

Kandi Sridhar

et al.

Food Chemistry, Journal Year: 2024, Volume and Issue: 462, P. 141000 - 141000

Published: Aug. 26, 2024

Language: Английский

Citations

4

Machine Learning for Predicting and Optimizing Physicochemical Properties of Deep Eutectic Solvents: Review and Perspectives DOI
Francisco Javier López-Flores, César Ramírez‐Márquez, J. Betzabe González‐Campos

et al.

Industrial & Engineering Chemistry Research, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 19, 2024

This review explores the application of machine learning in predicting and optimizing key physicochemical properties deep eutectic solvents, including CO2 solubility, density, electrical conductivity, heat capacity, melting temperature, surface tension, viscosity. By leveraging learning, researchers aim to enhance understanding customization a critical step expanding their use across various industrial research domains. The integration represents significant advancement tailoring solvents for specific applications, marking progress toward development greener more efficient processes. As continues unlock full potential it is expected play an increasingly pivotal role revolutionizing sustainable chemistry driving innovations environmental technology.

Language: Английский

Citations

4

Deep eutectic solvent (DES)-polymer hybrid systems as tools in drug delivery DOI
Onome Ejeromedoghene, Moses Kumi,

Ephraim Akor

et al.

Elsevier eBooks, Journal Year: 2025, Volume and Issue: unknown, P. 135 - 153

Published: Jan. 1, 2025

Language: Английский

Citations

0

The Single-Parameter Bragg–Williams Model for Eutectic Solvents DOI Open Access
Ozge Ozkilinc, Miguel A. Soler, Paolo Giannozzi

et al.

International Journal of Molecular Sciences, Journal Year: 2025, Volume and Issue: 26(3), P. 997 - 997

Published: Jan. 24, 2025

The study of solid–liquid equilibria offers critical insights into the molecular interactions between constituents in binary mixtures. Predicting these often requires comprehensive thermodynamic models, yet simplified approaches can provide valuable perspectives. In this work, we explore application Bragg–Williams model to mixtures leading formation eutectic solvents. This relies on a single parameter—the molar energy change upon mixing compounds—and demonstrates noteworthy features: parameter be estimated from few (in principle, single) experimental melting points, and it correlates strongly with interaction parameters more complex such as PC-SAFT molecular-based equation state. By using model, straightforward informative framework for characterizing equilibria, enabling while requiring data points input. Despite its simplicity, effectively captures essence mixture energetics, positioning practical tool advancing understanding phase behavior solvent systems.

Language: Английский

Citations

0

Examining the Potential of Type V DES for Metal Solvent Extraction DOI Creative Commons
Nicolas Schaeffer, Inês C. M. Vaz,

Maísa Saldanha Pinheiro

et al.

Green Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

The growing interest in sustainable and efficient metal ion separation has led to the exploration of non-ionic deep eutectic solvents (DES), also known as Type V DES, promising alternatives...

Language: Английский

Citations

0

ChemBERTa Embeddings and Ensemble Learning for Prediction of Density and Melting Point of Deep Eutectic Solvents with Hybrid Features DOI
Ting Wu, Peng Zhan, Weiqiu Chen

et al.

Computers & Chemical Engineering, Journal Year: 2025, Volume and Issue: unknown, P. 109065 - 109065

Published: Feb. 1, 2025

Language: Английский

Citations

0

The Physicochemical Properties and Plausible Implication of Deep Eutectic Solvents in Analytical Techniques DOI

Vahishta K. Katrak,

Ninad K Patel,

Sushma P. Ijardar

et al.

Critical Reviews in Analytical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 24

Published: April 9, 2025

Volatile organic solvents and fluoride-containing ionic liquids (ILs) have few drawbacks like toxicity, non-biodegradability, environmental issues. Even though ILs are considered as new safest solvent for their lower volatility. They pose toxicity sustainability concerns. Deep eutectic (DESs) garnered significant attention substitutes these solvents, addressing aligning with specific principles of green chemistry, such reduced biodegradability, the use renewable resources. This review thoroughly explains emergence inception DESs through development. It deals physicochemical properties density, polarity, viscosity. The factors dealing variation in density viscosity DES been discussed. preparation operation DESs, encompassing various variants hydrophobic hydrophilic types examined to provide a comprehensive grasp chemical properties. Beyond basic characteristics, article delves into applications demonstrate flexibility. show promising multifarious utility, ranging from acting extractant critical roles sorbent-based extractions, solvent-based role analytical techniques. covers opportunities difficulties associated offering prospective viewpoint on future advancements difficulties. outlines different facets research, emphasizing level knowledge at moment potential influence emerging subject DESs.

Language: Английский

Citations

0

Deep Eutectic Solvent-Aqueous Two-Phase Leaching System for Direct Separation of Lithium and Critical Metals DOI Creative Commons

Kevin Septioga,

Adroit T. N. Fajar, Rie Wakabayashi

et al.

ACS Sustainable Resource Management, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 18, 2024

Developing an effective recycling process for reclaiming valuable metals from lithium-ion batteries is urgent issue owing to increasing battery waste electric vehicles. In this study, we developed a leaching method that enables the direct separation of lithium other critical metals, namely, nickel and cobalt, using two-phase system consists deep eutectic solvent (DES) water. The DES consisting 4,4,4-trifluoro-1-phenyl-1,3-butadione tri-n-octylphosphine oxide showed highest performance when combined with Several operational parameters, such as aqueous fraction, solid-liquid ratio, reaction time, operation temperature, were evaluated. optimum results in obtained 1:1 DES-water ratio 10 g/L reacted at 80 °C 24 h. An in-situ stripping phenomenon was observed, revealing transferred phase phase. application black mass leaching, significantly enhanced Co, Ni, Mn extraction into thus plays important role separating metals. efficiency reached 99% within

Language: Английский

Citations

3