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Tailored deep-eutectic solvent method to enable 3D porous iron fluoride bricks for conversion-type lithium batteries 被引量:4
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作者 Chuanzhong Lai Keyi Chen +3 位作者 Yongjian Zheng Junwei Meng Jiulin Hu Chilin Li 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第3期178-187,I0006,共11页
Conversion-type fluoride cathode can provide considerable energy density for Li batteries,however its scalable and facile synthesis strategies are still lacking.Here,a novel Fe-based deep eutectic solvent composed of ... Conversion-type fluoride cathode can provide considerable energy density for Li batteries,however its scalable and facile synthesis strategies are still lacking.Here,a novel Fe-based deep eutectic solvent composed of nitrite and methylsulfonylmethane is proposed as both the reaction medium and precursor to synthesize O-doped FeF3porous bricks.This method is cheaper,safe,mildly operable,environmentally friendly and recyclable for non-fluorinated metal cations.The homogenization of charge and mass transport in cathode network effectively mitigates the volume extrusion and electrode coarsening even for the micro-sized monolithic particles.The Co-solvation modulated fluoride cathode delivers high reversible capacity in a wide temperature range(486 and 235 mA h g^(-1)at 25℃ and-20℃ respectively),excellent rate performance(312 mA h g^(-1)at 1000 mA g^(-1)),corresponding to an energy density as high as672.1 W h kg^(-1)under a power density of 2154.3 W kg^(-1).The successful operation of fluoride pouchcell with a capacity exceeding 450 mA h g^(-1)(even under thin Li foil and lean electrolyte conditions) indicates its potentiality of commercial application. 展开更多
关键词 Ironfluoride deep-eutectic solvent Conversion cathode Li batteries Porous brick structure
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Organic solvent nanofiltration membranes for separation in non-polar solvent system 被引量:1
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作者 Shuyun Gu Siyao Li Zhi Xu 《Green Energy & Environment》 2025年第2期244-267,共24页
Membrane technology holds significant potential for augmenting or partially substituting conventional separation techniques,such as heatdriven distillation,thereby reducing energy consumption.Organic solvent nanofiltr... Membrane technology holds significant potential for augmenting or partially substituting conventional separation techniques,such as heatdriven distillation,thereby reducing energy consumption.Organic solvent nanofiltration represents an advanced membrane separation technology capable of discerning molecules within a molecular weight range of approximately 100-1000 Da in organic solvents,offering low energy requirements and minimal carbon footprints.Molecular separation in non-polar solvent system,such as toluene,n-hexane,and n-heptane,has gained paramount importance due to their extensive use in the pharmaceutical,biochemical,and petrochemical industries.In this review,we presented recent advancements in membrane materials,membrane fabrication techniques and their promising applications for separation in nonpolar solvent system,encompassing hydrocarbon separation,bioactive molecule purification and organic solvent recovery.Furthermore,this review highlighted the challenges and opportunities associated with membrane scale-up strategies and the direct translation of this promising technology into industrial applications. 展开更多
关键词 Organic solvent nanofiltration Membranes Membrane separation Non-polar solvent system Petrochemical and pharmaceutical application
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Overcoming low-temperature challenges in LIBs:The role of anion-rich solvation sheath in strong solvents 被引量:1
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作者 Xueqing Min Li Wang +3 位作者 Yanzhou Wu Zhiguo Zhang Hong Xu Xiangming He 《Journal of Energy Chemistry》 2025年第7期63-70,共8页
Lithium-ion batteries(LIBs)face significant limitations in low-temperature environments,with the slow interfacial de-solvation process and the hindered Li+transport through the interphase layer emerging as key obstacl... Lithium-ion batteries(LIBs)face significant limitations in low-temperature environments,with the slow interfacial de-solvation process and the hindered Li+transport through the interphase layer emerging as key obstacles beyond the issue of ionic conductivity.This investigation unveils a novel formulation that constructs an anion-rich solvation sheath within strong solvents,effectively addressing all three of these challenges to bolster low-temperature performance.The developed electrolyte,characterized by an enhanced concentration of contact ion pairs(CIPs)and aggregates(AGGs),facilitates the formation of an inorganic-rich interphase layer on the anode and cathode particles.This promotes de-solvation at low temperatures and stabilizes the electrode-electrolyte interphase.Full cells composed of LiNi_(0.6)Co_(0.2)Mn_(0.2)O_(2)(NCM622)and graphite,when equipped with this electrolyte,showcase remarkable cycle stability and capacity retention,with 93.3% retention after 500 cycles at room temperature(RT)and 95.5%after 120 cycles at -20℃.This study validates the utility of the anion-rich solvation sheath in strong solvents as a strategy for the development of low-temperature electrolytes. 展开更多
关键词 Electrolytes Solvation structure Low temperature Strong solvents Lithium-ion batteries
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Deep eutectic solvents for separation and purification applications in critical metal metallurgy:Recent advances and perspectives
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作者 Shuo Chen Shengpeng Su +4 位作者 Yanfang Huang Bingbing Liu Hu Sun Shuzhen Yang Guihong Han 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS 2025年第1期1-19,共19页
Solvent extraction,a separation and purification technology,is crucial in critical metal metallurgy.Organic solvents commonly used in solvent extraction exhibit disadvantages,such as high volatility,high toxicity,and ... Solvent extraction,a separation and purification technology,is crucial in critical metal metallurgy.Organic solvents commonly used in solvent extraction exhibit disadvantages,such as high volatility,high toxicity,and flammability,causing a spectrum of hazards to human health and environmental safety.Neoteric solvents have been recognized as potential alternatives to these harmful organic solvents.In the past two decades,several neoteric solvents have been proposed,including ionic liquids(ILs)and deep eutectic solvents(DESs).DESs have gradually become the focus of green solvents owing to several advantages,namely,low toxicity,degradability,and low cost.In this critical review,their classification,formation mechanisms,preparation methods,characterization technologies,and special physicochemical properties based on the most recent advancements in research have been systematically described.Subsequently,the major separation and purification applications of DESs in critical metal metallurgy were comprehensively summarized.Finally,future opportunities and challenges of DESs were explored in the current research area.In conclusion,this review provides valuable insights for improving our overall understanding of DESs,and it holds important potential for expanding separation and purification applications in critical metal metallurgy. 展开更多
关键词 deep eutectic solvents preparations PROPERTIES separation and purification critical metal metallurgy
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Advances on research of H_(2)S removal by deep eutectic solvents as green solvent
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作者 Feng Gao Jinjin Li +4 位作者 Chaoyue Yang Wu Zhang Hongfa Huang Zicheng Peng Teng Gong 《Natural Gas Industry B》 2025年第1期26-36,共11页
H_(2)S in natural gas and other industrial gas is seriously harmful to human health,environmental protection and the downstream industries.Efficient purification of H_(2)S containing gas is the basic process in the ch... H_(2)S in natural gas and other industrial gas is seriously harmful to human health,environmental protection and the downstream industries.Efficient purification of H_(2)S containing gas is the basic process in the chemical industry.Benefiting from multiple advantages,deep eutectic solvents(DES)can be used as tailor-made green solvents,and have been booming in the fields of harmful gas removal and fuel oil desulfurization.Furthermore,significant scientific research of DES in desulfurization and purification of natural gas has accelerated the process of its practical application.This paper systematically summarizes and analyzes the removal mechanism,impact factors and challenges of DES as emerging green solvent in H_(2)S absorption and conversion.Strategies on H_(2)S removal by DES generally fall into two categories:physical absorption and chemical conversion.Although the chemical conversion of H_(2)S by DES has been less studied compared with the physical absorption,it presents great application potential.At present,the research on H_(2)S removal by DES is still in the initial stage.Therefore,it is necessary to further study the mechanism of H_(2)S removal and construct the relationship between structural properties and desulfurization performance of DES,thereby to solve the issues of sulfur blockage and low quality of sulfur paste which is suffered by conventional liquid redox desulfurization solvent system.Additionally,the methods for efficient solvent regeneration and recycling remain to be explored out to promote the practical application of iron-based DES in the field of gas desulfurization. 展开更多
关键词 Deep eutectic solvent(DES) Purification of natural gas DESULFURIZATION H_(2)S solvent regeneration
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Hydrothermal liquefaction for preparation of liquid fuels and chemicals: Solvent effects, catalysts regulation and thermochemical conversion processes
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作者 Bingbing Qiu Xuedong Tao +2 位作者 Yanfang Wang Donghui Zhang Huaqiang Chu 《Green Energy & Environment》 2025年第8期1727-1750,共24页
Hydrothermal liquefaction technology is an effective method for the resource utilization and energy conversion of biomass under the dual-carbon context,facilitating the conversion of biomass into liquid fuels and high... Hydrothermal liquefaction technology is an effective method for the resource utilization and energy conversion of biomass under the dual-carbon context,facilitating the conversion of biomass into liquid fuels and high-value chemicals.This paper reviews the latest advancements in the production of liquid fuels and chemicals from biomass hydrothermal liquefaction.It briefly introduces the effects of different types of biomass,such as organic waste,lignocellulosic materials,and algae,on the conversion efficiency and product yield during hydrothermal liquefaction.The specific mechanisms of solvent and catalyst systems in the hydrothermal liquefaction process are analyzed in detail.Compared to water and organic solvents,the biphasic solvent system yields higher concentrations of furan platform compounds,and the addition of an appropriate amount of NaCl to the solvent significantly enhances product yield.Homogeneous catalysts exhibit advantages in reaction rate and selectivity but are limited by high costs and difficulties in separation and recovery.In contrast,heterogeneous catalysts possess good separability and regeneration capabilities and can operate under high-temperature conditions,but their mass transfer efficiency and deactivation issues may affect catalytic performance.The direct hydrothermal catalytic conversion of biomass is also discussed for the efficient production of chemicals and fuels such as hexanol,ethylene glycol,lactic acid,and C5/C6 liquid alkanes.Finally,the advantages and current challenges of producing liquid fuels and chemicals from biomass hydrothermal liquefaction are thoroughly analyzed,along with potential future research directions. 展开更多
关键词 solvents CATALYSTS Hydrothermal liquefaction Liquid fuels CHEMICALS
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Electrolysis of Cu_(2) Sinto copper nanosheets and sulfur particles in ChCl-thiourea deep eutectic solvent
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作者 Ji-hua LI Jin-feng ZHOU +4 位作者 Wei-jia CHEN Shi-wei HE Zhong-sheng HUA Shi-liang CHEN Hui KONG 《Transactions of Nonferrous Metals Society of China》 2025年第7期2386-2398,共13页
Copper nanosheets and sulfur particles were synthesized synchronously by electrolysis,after dissolving Cu_(2)S in ChCl-thiourea(TU)deep eutectic solvent(DES)system.The optimized electrolysis conditions of 0.9 V,80℃,a... Copper nanosheets and sulfur particles were synthesized synchronously by electrolysis,after dissolving Cu_(2)S in ChCl-thiourea(TU)deep eutectic solvent(DES)system.The optimized electrolysis conditions of 0.9 V,80℃,and 2 h resulted in the deposition of pure nano-sized copper sheets with a length of approximately 500 nm and a thickness of approximately 30 nm,and the production of sulfur particles with an average size of approximately 10μm.The morphology of the cathodic products was significantly influenced by the electrolysis voltage.When Cu_(2)S was introduced into ChCl-TU,it dissolved[CuCl_(2)]^(-)without disrupting the structure of the choline ion(Ch^(+)).As the electrolysis time increased,the copper deposition changed from wire to sheet growth,with the growth direction from radial to epitaxial along the substrate and back to radial. 展开更多
关键词 cuprous sulfide deep eutectic solvent separation cooper nanosheet electro-recovery
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Experimental investigation on the effects of deep eutectic solvents (DES) on the wettability of sandstone samples
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作者 Jun-Hui Guo Yun-Fei Bai +8 位作者 Lin Du Li-Ying Wei Yu Zhao Xian-Bao Zheng Er-Long Yang Zhi-Guo Wang Hai Huang Wen-Tong Zhang Hua-Zhou Li 《Petroleum Science》 2025年第3期1380-1390,共11页
Recently, deep eutectic solvents (DES) have received great attention in assisting water flooding and surfactant flooding to improve oil recovery because they can reduce the interfacial tension (IFT) between oil and wa... Recently, deep eutectic solvents (DES) have received great attention in assisting water flooding and surfactant flooding to improve oil recovery because they can reduce the interfacial tension (IFT) between oil and water, inhibit surfactant adsorption, and change the wettability of rock. However, the effects of DES on the wettability of rock surface have not been thoroughly investigated in the reported studies. In this study, the effects of various DES samples on the wettability of sandstone samples are investigated using the Amott wettability measurement method. Three DES samples and several DES solutions and DES-surfactant solutions are firstly synthesized. Then, the wettability of the sandstone samples is measured using pure saline water, DES solutions, and DES-surfactant solutions, respectively. The effects of the DES samples on the wettability of the sandstone samples are investigated by comparing the measured wettability parameters, including oil displacement ratio (I_(o)), water displacement ratio (I_(w)), and wettability index (I_(A)). The Berea rock sample used in this study is weakly hydrophilic with I_(o), I_(w), and I_(A) of 0.318, 0.032, and 0.286, respectively. Being processed by the prepared DES samples, the wettability of the Berea sandstone samples is altered to hydrophilic (0.7 > I_(A) > 0.3) by increasing I_(w) but lowering Io. Similarly, DES-surfactant solutions can also modify the wettability of the Berea sandstone samples from weakly hydrophilic to hydrophilic. However, some DES-surfactant solutions can not only increase I_(w) but also increase I_(o), suggesting that the lipophilicity of those sandstone samples will be improved by the DES-surfactant solutions. In addition, micromodel flooding tests confirm the promising performance of a DES-surfactant solution in improving oil recovery and altering wettability. Moreover, the possible mechanisms of DES and DES-surfactant solutions in altering the wettability of the Berea sandstone samples are proposed. DES samples may improve the hydrophilicity by forming hydrogen bonds between rock surface and water molecules. For DES-surfactant solutions, surfactant micelles can capture oil molecules to improve the lipophilicity of those sandstone samples. 展开更多
关键词 Deep eutectic solvents SURFACTANT Wettability alteration Sandstone rock
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Intelligent prediction of ionic liquids and deep eutectic solvents by machine learning
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作者 Yuan Tian Honghua Zhang +3 位作者 Yueyang Qiao Han Yang Yanrong Liu Xiaoyan Ji 《Chinese Journal of Chemical Engineering》 2025年第8期227-243,共17页
Ionic liquids (ILs) and deep eutectic solvents (DESs) as green solvents have attracted dramatic attention recently due to their highly tunable properties. However, traditional experimental screening methods are ineffi... Ionic liquids (ILs) and deep eutectic solvents (DESs) as green solvents have attracted dramatic attention recently due to their highly tunable properties. However, traditional experimental screening methods are inefficient and resource-intensive. The article provides a comprehensive overview of various ML algorithms, including artificial neural network (ANN), support vector machine (SVM), random forest (RF), and gradient boosting trees (GBT), etc., which have demonstrated exceptional performance in handling complex and high-dimensional data. Furthermore, the integration of ML with quantum chemical calculations and conductor-like screening model-real solvent (COSMO-RS) has significantly enhanced predictive accuracy, enabling the rapid screening and design of novel solvents. Besides, recent ML applications in the prediction and design of ILs and DESs focused on solubility, melting point, electrical conductivity, and other physicochemical properties become more and more. This paper emphasizes the potential of ML in solvent design, overviewing an efficient approach to accelerate the development of sustainable and high-performance materials, providing guidance for their widespread application in a variety of industrial processes. 展开更多
关键词 Intelligent prediction lonic liquids Deep eutectic solvents Machine learning
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Design principles of fluoroether solvents for lithium metal battery electrolytes unveiled by extensive molecular simulation and machine learning
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作者 Xueying Yuan Xiupeng Chen +2 位作者 Yuanxin Zhou Zhiao Yu Xian Kong 《Journal of Energy Chemistry》 2025年第3期52-62,共11页
Electrolyte engineering with fluoroethers as solvents offers promising potential for high-performance lithium metal batteries.Despite recent progresses achieved in designing and synthesizing novel fluoroether solvents... Electrolyte engineering with fluoroethers as solvents offers promising potential for high-performance lithium metal batteries.Despite recent progresses achieved in designing and synthesizing novel fluoroether solvents,a systematic understanding of how fluorination patterns impact electrolyte performance is still lacking.We investigate the effects of fluorination patterns on properties of electrolytes using fluorinated 1,2-diethoxyethane(FDEE)as single solvents.By employing quantum calculations,molecular dynamics simulations,and interpretable machine learning,we establish significant correlations between fluorination patterns and electrolyte properties.Higher fluorination levels enhance FDEE stability but decrease conductivity.The symmetry of fluorination sites is critical for stability and viscosity,while exerting minimal influence on ionic conductivity.FDEEs with highly symmetric fluorination sites exhibit favorable viscosity,stability,and overall electrolyte performance.Conductivity primarily depends on lithium-anion dissociation or association.These findings provide design principles for rational fluoroether electrolyte design,emphasizing the trade-offs between stability,viscosity,and conductivity.Our work underscores the significance of considering fluorination patterns and molecular symmetry in the development of fluoroether-based electrolytes for advanced lithium batteries. 展开更多
关键词 Electrolyte engineering Fluoroether solvent Molecular simulation Machine learning
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Superhydrophobic ceramic membrane coupled with a biphasic solvent for efficient CO_(2)capture
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作者 Kaili Xue Zhen Chen +3 位作者 Xiaona Wu Heng Zhang Haiping Chen Junhua Li 《Green Energy & Environment》 2025年第4期834-844,共11页
An innovative strategy was proposed by integration of membrane contactor(MC)with biphasic solvent for efficient CO_(2) capture from flue gas.The accessible fly ash-based ceramic membrane(CM)underwent hydrophobic modif... An innovative strategy was proposed by integration of membrane contactor(MC)with biphasic solvent for efficient CO_(2) capture from flue gas.The accessible fly ash-based ceramic membrane(CM)underwent hydrophobic modification through silane grafting,followed by fluoroalkylsilane decoration,to prepare the superhydrophobic membrane(CSCM).The CSCM significantly improved resistance to wetting by the biphasic solvent,consisting of amine(DETA)and sulfolane(TMS).Morphological characterizations and chemical analysis revealed the notable enhancements in pore structure and hydrophobic chemical groups for the modified membrane.Predictions of wetting/bubbling behavior based on static wetting theory referred the liquid entry pressure(LEP)of CSCM increased by 20 kPa compared to pristine CM.Compared with traditional amine solvents,the biphasic solvent presented the expected phase separation.Performance experiments demonstrated that the CO_(2) capture efficiency of the biphasic solvent increased by 7%,and the electrical energy required for desorption decreased by 32%.The 60-h continuous testing and supplemental characterization of used membrane confirmed the excellent adaptability and durability of the CSCMs.This study provides a potential approach for accessing hydrophobic ceramic membranes and biphasic solvents for industrial CO_(2) capture. 展开更多
关键词 Carbon capture Membrane contactor Hydrophobic modification Membrane wetting Biphasic solvent
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Enhancing electrochemo-mechanical properties of graphite-silicon anode in all-solid-state batteries via solvent-induced polar interactions in nitrile binders
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作者 Jaecheol Choi Cheol Bak +4 位作者 Ju Young Kim Dong Ok Shin Seok Hun Kang Yong Min Lee Young-Gi Lee 《Journal of Energy Chemistry》 2025年第6期514-524,I0012,共12页
All-solid-state batteries(ASSBs)with sulfide-type solid electrolytes(SEs)are gaining significant attention due to their potential for the enhanced safety and energy density.In the slurry-coating process for ASSBs,nitr... All-solid-state batteries(ASSBs)with sulfide-type solid electrolytes(SEs)are gaining significant attention due to their potential for the enhanced safety and energy density.In the slurry-coating process for ASSBs,nitrile rubber(NBR)is primarily used as a binder due to its moderate solubility in non-polar solvents,which exhibites minimal chemical reactivity with sulfide SEs.However,the NBR binder,composed of butadiene and acrylonitrile units with differing polarities,exhibits different chemical compatibility depending on the subtle differences in polarity of solvents.Herein,we systematically demonstrate how the chemical compatibility of solvents with the NBR binder influences the performance of ASSBs.Anisole is found to activate the acrylonitrile units,inducing an elongated polymer chain configuration in the binder solution,which gives an opportunity to strongly interact with the solid components of the electrode and the current collector.Consequently,selecting anisole as a solvent for the NBR binder enables the fabrication of a mechanically robust graphite-silicon anode,allowing ASSBs to operate at a lower stacking pressure of 16 MPa.This approach achieves an initial capacity of 480 mAh g^(-1),significantly higher than the 390 mAh g^(-1)achieved with the NBR/toluene binder that has less chemical compatibility.Furthermore,internal stress variations during battery operation are monitored,revealing that the enhanced mechanical properties,achieved through acrylonitrile activation,effectively mitigate internal stress in the graphite/silicon composite anode. 展开更多
关键词 Solid-state batteries Nitrile rubber solvents Silicon Sulfide solid electrolytes
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Correction to Solvent-Resistant Wearable Triboelectric Nanogenerator for Energy-Harvesting and Self-Powered Sensors
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《Energy & Environmental Materials》 2025年第3期327-327,共1页
Yongtao Yu,Yuelin Yu et al.Solvent-Resistant Wearable Triboelectric Nanogenerator for Energy-Harvesting and Self-Powered Sensors.Energy Environ.Mater.2024,7,e12700.On page 4 of this article,the first paragraph of 2.4,... Yongtao Yu,Yuelin Yu et al.Solvent-Resistant Wearable Triboelectric Nanogenerator for Energy-Harvesting and Self-Powered Sensors.Energy Environ.Mater.2024,7,e12700.On page 4 of this article,the first paragraph of 2.4,line 14(PDF version,same below),there is a spelling mistake of“sui,”.It should be changed to“suitable”.The denominator“dt”in the Equation(3)should be changed to“dt”. 展开更多
关键词 WEARABLE self powered sensors triboelectric nanogenerator solvent resistant energy harvesting
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Synergistic solvent extraction system of bis(pyridin-2-ylmethyl)dodecan-1-amine and dinonylnaphthalene for enhanced selective extraction of nickel and cobalt
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作者 Bharat Prasad Sharma Tianzhang Wang +3 位作者 Yufeng Liang Jinping Xiong Liangrong Yang Zheng Li 《Chinese Journal of Chemical Engineering》 2025年第1期10-18,共9页
Simultaneous recovery of Ni and Co from Fe(Ⅲ)and AI is a critical challenge in hydrometallurgical processes.Recognized solvent extraction systems often struggle with selectivity and effective performance in mixed met... Simultaneous recovery of Ni and Co from Fe(Ⅲ)and AI is a critical challenge in hydrometallurgical processes.Recognized solvent extraction systems often struggle with selectivity and effective performance in mixed metal ion environments.Herein,a new synergistic solvent extraction(SSX)system comprised of a novel pyridine analog,N,N-bis(pyridin-2-ylmethyl)dodecan-1-amine(BPMDA),and dinonylnaphthalene sulfonic acid(DNNSA)with tributyl phosphate as phase modifier is introduced.The SSX system demonstrates high extraction performance achieving>90%for Ni and>97%for Co in a singlestage extraction process,with high selectivity.Under optimal conditions,the selectivity sequence is observed as Co^(2+)(>97%)>Ni^(2+)(>90%)>Mn^(2+)(<20%)>Fe^(3+)(<10%)>Mg^(2+)(<5%)>Al^(3+)(<2%)>Ca^(2+)(<1%).Spectroscopic analysis evidences the preferential binding of BPMDA with Ni and Co in the presence of DNNSA,concurrently achieving a significant reduction in the co-extraction of Fe(Ⅲ)and Al.The selective complexation of Ni and Co using the SSX system offers a highly efficient and selective approach for their extraction,with promising potential for applications in recovery-based processes. 展开更多
关键词 Nickel and cobalt extraction Synergistic solvent extraction DNNSA Pyridine HYDROMETALLURGY
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Generative discovery of safer chemical alternatives using diffusion modeling:A case study in green solvent design for cyclohexane/benzene extractive distillation
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作者 Zhichao Tan Kunsen Lin +1 位作者 Youcai Zhao Tao Zhou 《Journal of Environmental Sciences》 2025年第8期390-401,共12页
Over the past century,advancements in chemistry have significantly propelled human innovation,enhancing both industrial and consumer products.However,this rapid progression has resulted in chemical pollution increasin... Over the past century,advancements in chemistry have significantly propelled human innovation,enhancing both industrial and consumer products.However,this rapid progression has resulted in chemical pollution increasingly surpassing planetary boundaries,as production and release rates have outpaced our monitoring capabilities.To catalyze more impactful efforts,this study transitions from traditional chemical assessment to inverse chemical design,introducing a generative graph latent diffusion model aimed at discovering safer alternatives.In a case study on the design of green solvents for cyclohexane/benzene extraction distillation,we constructed a design database encompassing functional,environmental hazards,and process constraints.Virtual screening of previous design dataset revealed distinct trade-off trends between these design requirements.Based on the screening outcomes,an unconstrained generative model was developed,which covered a broader chemical space and demonstrated superior capabilities for structural interpolation and extrapolation.To further optimize molecular generation towards desired properties,a multi-objective latent diffusion method was applied,yielding 19 candidate molecules.Of these,7 were identified in PubChem as the most viable green solvent candidates,while the remaining 12 as potential novel candidates.Overall,this study effectively designed green solvent candidates for safer and more sustainable industrial production,setting a promising precedent for the development of environmentally friendly alternatives in other areas of chemical research. 展开更多
关键词 Chemical alternatives Inverse design Green solvent design Generative models
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Unravelling the prospects of electrolytes containing ionic liquids and deep eutectic solvents for next generation lithium batteries
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作者 Shivani Ramesh Chand Thakur +2 位作者 Akhil Thakur Akshay Sharma Renuka Sharma 《Journal of Energy Chemistry》 2025年第6期482-500,I0012,共20页
The rising need for efficient and sustainable energy storage systems has led to increased interest in the use of advanced electrolytes consisting of deep eutectic solvents(DESs) and ionic liquids(ILs).These electrolyt... The rising need for efficient and sustainable energy storage systems has led to increased interest in the use of advanced electrolytes consisting of deep eutectic solvents(DESs) and ionic liquids(ILs).These electrolytes are appealing candidates for supercapacitors,next-generation lithium-ion batteries,and different energy storage systems because of their special features including non-flammability,low volatility,lowtoxicity,good electrochemical stability,and good thermal and chemical stability.This review explores the advantages of the proposed electrolytes by examining their potential to address the critical challenges in lithium battery technology,including safety concerns,energy density limitations,and operational stability.To achieve this,a comprehensive overview of the lithium salts commonly employed in rechargeable lithium battery electrolytes is presented.Moreover,key physicochemical and functional attributes of ILs and DESs,such as electrochemical stability,ionic conductivity,nonflammability,and viscosity are also discussed with a focus on how these features impact battery performance.The integration of lithium salts with ILs and DESs in modern lithium battery technologies,including lithium-ion(Li-ion) batteries,lithium-oxygen(Li-O_(2)) batteries,and lithium-sulfur(Li-S) batteries,are further examined in the study.Various electrochemical performance metrics including cycling stability,charge/discharge profiles,retention capacity and battery's couiombic efficiency(CE) are also analyzed for the above-mentioned systems.By summarizing recent advances and challenges,this review also highlights the potential of electrolytes consisting of DESs and ILs to enhance energy density,durability,and safety in future energy storage applications.Additionally future research directions,including the molecular optimization of ILs and DESs,optimizing lithium salt compositions,and developing scalable synthesis methods to accelerate their practical implementation in next-generation energy storage applications are also explored. 展开更多
关键词 Electrolytes Deepeutectic solvents lonic liquids Lithium salts Electrochemical performance Lithium batteries
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Advancing anti-freezing hydrogel electrolyte based on deep eutectic solvent for wide temperature range aqueous zinc-ion battery
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作者 Yuqi Jiang Yifan Liao +1 位作者 Jiayi Chen Kun Ma 《Journal of Environmental Sciences》 2025年第10期596-605,共10页
Hydrogels based on Deep Eutectic Solvents(DES)demonstrate remarkable anti-freezing,resilience,and toughness,presenting a promising avenue to the operation of aqueous zincion batteries under extreme conditions.A gel el... Hydrogels based on Deep Eutectic Solvents(DES)demonstrate remarkable anti-freezing,resilience,and toughness,presenting a promising avenue to the operation of aqueous zincion batteries under extreme conditions.A gel electrolyte capable of operating over a wide temperature range is developed based on a DES comprising 1 mol/kg(m)Zn(ClO_(4))_(2)+3.5 m Mg(ClO_(4))_(2).Spectral characterization confirms the synergistic influence of both anions and cations on the freezing point of the DES.With four hydrogen bond(HB)acceptors,Mg^(2+) exhibits strong electrostatic attraction towards the O atoms of H_(2)O,while ClO_(4)^(-)forms numerous HBs with H_(2)O molecules.This dual interaction allows for precise adjustment of the chemical environment around the H and O atoms of H_(2)O,resulting in an exceptionally low freezing point of-116.92℃for the DES.The gel electrolyte derived from this DES demonstrates an impressive ionic conductivity of 0.285 mS/cm at-70℃.Leveraging its excellent low-temperature performance and compatibility with a zinc anode,the flexible Zn-Mn battery constructed with this electrolyte exhibits robust electrochemical performance at low temperatures.Specifically,at-70℃,it achieves a high specific capacity of 76.83 mAh/g,displays excellent rate capability,andmaintains stable cycling performance.Moreover,the Zn-Mn battery operates reliably across a broad temperature range from-70 to 80℃.This study presents innovative insights for advancing Zn-Mn batteries capable of efficient operation across diverse environmental conditions,thereby opening new avenues for their development. 展开更多
关键词 Aqueous zinc-ion battery Deep eutectic solvent Hydrogel electrolytes All-climate operation
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Environmentally benign process for valorization of lignocellulosic bamboo residues with green solvent propylene carbonate
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作者 Jie Liang Jingcong Xie +4 位作者 Jianchun Jiang Yan Ma Jun Ye Xianhai Zeng Kui Wang 《Green Energy & Environment》 2025年第8期1777-1788,共12页
A novel environmentally benign biphasic system composed of propylene carbonate(PC) and aqueous solution of p-toluenesulfonic acid(p-TsOH aq) was designed for the efficient valorization of lignocellulosic bamboo residu... A novel environmentally benign biphasic system composed of propylene carbonate(PC) and aqueous solution of p-toluenesulfonic acid(p-TsOH aq) was designed for the efficient valorization of lignocellulosic bamboo residues, resulting in more than 95.5% of hemicellulose and 97.2% of lignin digested under mild conditions of 130°C for 1 h. Meanwhile, 91.9% of cellulose was retained with loose structure, followed by 95.8% enzyme hydrolysis yield and 347.9 mg g-1of glucose yield. Notably, the synergistic effect between PC and p-TsOH on efficiency and selectivity was proposed by a control group experiment and subsequently verified, which is believed to be responsible for the simultaneous degradation and separation of lignin and hemicelluloses into oligomeric phenols and pentose, also facilitating subsequent valorization.Furthermore, the novel PC/p-TsOH aq biphasic system demonstrated excellent retrievability and adaptability to different feedstocks, offering a promising green strategy for the efficient valorization of lignocellulosic biomass in industrial biorefineries. 展开更多
关键词 Biorefinery Green solvent Bamboo residues Propylene carbonate p-toluenesulfonic acid
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Synthesis of Nano-CuF_(2) with Superior Electrochemical Performances via a Mixed Solvent Coprecipitation Method
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作者 DU Suni YU Zhiyong +5 位作者 JI Erte XU Hanchen ZHAO Yichun LIU Hanxing LAI Caiting YUAN Zhongzhi 《Journal of Wuhan University of Technology(Materials Science)》 2025年第5期1206-1212,共7页
Nano-scale CuF_(2) with superior electrochemical activity was successfully prepared by a mixed solvent co-precipitation method.The SEM and TEM analyses demonstrated that the methanol concentration had a pronounced eff... Nano-scale CuF_(2) with superior electrochemical activity was successfully prepared by a mixed solvent co-precipitation method.The SEM and TEM analyses demonstrated that the methanol concentration had a pronounced effect on both the particle size and the extent of agglomeration.With the increase in methanol content,the particle size and agglomeration of CuF_(2) decreased first and then increased.When the volume ratio of methanol to deionized water was 1:1,the CuF_(2) particles exhibited the smallest size and the lowest degree of agglomeration.CuF_(2) synthesized with 50%methanol exhibited superior electrochemical performances with a voltage plateau above 3 V and a 1st discharge capacity of 525.8 mAh·g^(-1) at 0.01 C due to the synergistic influence of the particle size and dispersion.The analysis results using electrochemical impedance spectroscopy(EIS)and constant current intermittent titration technique(GITT)affirmed the addition of methanol was beneficial for promoting Li+diffusion and accelerating electrochemical reaction kinetics of CuF_(2). 展开更多
关键词 CuF_(2) lithium-ion battery mixed solvent co-precipitation method electrochemical performances
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Transdermal delivery of amphotericin B using deep eutectic solvents for antifungal therapy
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作者 Bing Xie Qi Jiang +4 位作者 Fang Zhu Yaoyao Lai Yueming Zhao Wei He Pei Yang 《Chinese Chemical Letters》 2025年第5期475-478,共4页
Candida albicans is one of the most common pathogens causing invasive fungal infections,with a mortality rate of up to 20%-50%.Amphotericin B(AmB),a biopharmaceutics classification system(BCS)IV drug,significantly inh... Candida albicans is one of the most common pathogens causing invasive fungal infections,with a mortality rate of up to 20%-50%.Amphotericin B(AmB),a biopharmaceutics classification system(BCS)IV drug,significantly inhibits Candida albicans.AmB is primarily administered via oral and intravenous infusion,but severe infusion adverse effects,nephrotoxicity,and potential hepatotoxicity limit its clinical application.Deep eutectic solvents(DESs),with excellent solubilization ability and skin permeability,are attractive for transdermal delivery.Herein,we used DESs to deliver AmB for antifungal therapy transdermally.We first prepared and characterized DESs with different stoichiometric ratios of choline(Ch)and geranate(Ge).DESs increased the solubility of AmB by a thousand-fold.In vitro and in vivo,skin permeation studies indicated that DES_(1:2)(Ch and Ge in 1:2 ratio)had the most outstanding penetration and delivered fluorescence dye to the dermis layer.Then,DES_(1:2)-AmB was prepared and in vitro antifungal tests demonstrated that DES_(1:2)-AmB had superior antifungal effects compared to AmB and DES_(1:2).Furthermore,DES_(1:2)-AmB was skin-irritating and biocompatible.In conclusion,DES-AmB provides a new and effective therapeutic solution for fungal infections. 展开更多
关键词 Amphotericin B Deep eutectic solvents Transdermal delivery Candida albicans Fungal infections
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