Brazing filler metals are widely applied,which serve as an industrial adhesive in the joining of dissimilar structures.With the continuous emergence of new structures and materials,the demand for novel brazing filler ...Brazing filler metals are widely applied,which serve as an industrial adhesive in the joining of dissimilar structures.With the continuous emergence of new structures and materials,the demand for novel brazing filler metals is ever-increasing.It is of great significance to investigate the optimized composition design methods and to establish systematic design guidelines for brazing filler metals.This study elucidated the fundamental rules for the composition design of brazing filler metals from a three-dimensional perspective encompassing the basic properties of applied brazing filler metals,formability and processability,and overall cost.The basic properties of brazing filler metals refer to their mechanical properties,physicochemical properties,electromagnetic properties,corrosion resistance,and the wettability and fluidity during brazing.The formability and processability of brazing filler metals include the processes of smelting and casting,extrusion,rolling,drawing and ring-making,as well as the processes of granulation,powder production,and the molding of amorphous and microcrystalline structures.The cost of brazing filler metals corresponds to the sum of materials value and manufacturing cost.Improving the comprehensive properties of brazing filler metals requires a comprehensive and systematic consideration of design indicators.Highlighting the unique characteristics of brazing filler metals should focus on relevant technical indicators.Binary or ternary eutectic structures can effectively enhance the flow spreading ability of brazing filler metals,and solid solution structures contribute to the formability.By employing the proposed design guidelines,typical Ag based,Cu based,Zn based brazing filler metals,and Sn based solders were designed and successfully applied in major scientific and engineering projects.展开更多
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
Fatty acids are the main constituents of vegetable oils.To determine the fatty acid compositions of small trade vegetable oils and some less well studied beneficial vegetable oils,and investigate their relationships w...Fatty acids are the main constituents of vegetable oils.To determine the fatty acid compositions of small trade vegetable oils and some less well studied beneficial vegetable oils,and investigate their relationships with antioxidant activity and oxidative stability,gas chromatography-mass spectrometry was performed to characterize the associated fatty acid profiles.The antioxidant activity of vegetable oils,based on their DPPH-scavenging capacity(expressed as IC_(50) values),was used to assess their impact on human health,and their oxidative stability was characterized by performing lipid oxidation analysis to determine the oxidative induction time of fats and oils.In addition,correlation analyses were performed to examine associations between the fatty acid composition of the oils and DPPH-scavenging capacity and oxidative stability.The results revealed that among the assessed oils,coffee seed oil has the highest saturated fatty acid content(355.10 mg/g),whereas Garddenia jaminoides oil has the highest unsaturated fatty acid content(844.84 mg/g).Coffee seed oil was also found have the lowest DPPH IC_(50) value(2.30 mg/mL)and the longest oxidation induction time(17.09 h).Correlation analysis revealed a significant linear relationship(P<0.05)between oxidative stability and unsaturated fatty acid content,with lower contents tending to be associated with better oxidative stability.The findings of this study provide reference data for the screening of functional edible vegetable oils.展开更多
Super-fine electrohydrodynamic inkjet(SIJ)printing of perovskite nanocrystal(PNC)colloid ink exhibits significant potential in the fabrication of high-resolution color conversion microstructures arrays for fullcolor m...Super-fine electrohydrodynamic inkjet(SIJ)printing of perovskite nanocrystal(PNC)colloid ink exhibits significant potential in the fabrication of high-resolution color conversion microstructures arrays for fullcolor micro-LED displays.However,the impact of solvent on both the printing process and the morphology of SIJ-printed PNC color conversion microstructures remains underexplored.In this study,we prepared samples of CsPbBr3PNC colloid inks in various solvents and investigated the solvent's impact on SIJ printed PNC microstructures.Our findings reveal that the boiling point of the solvent is crucial to the SIJ printing process of PNC colloid inks.Only does the boiling point of the solvent fall in the optimal range,the regular positioned,micron-scaled,conical PNC microstructures can be successfully printed.Below this optimal range,the ink is unable to be ejected from the nozzle;while above this range,irregular positioned microstructures with nanoscale height and coffee-ring-like morphology are produced.Based on these observations,high-resolution color conversion PNC microstructures were effectively prepared using SIJ printing of PNC colloid ink dispersed in dimethylbenzene solvent.展开更多
With the increasing complexity of the current electromagnetic environment,excessive microwave radi-ation not only does harm to human health but also forms various electromagnetic interference to so-phisticated electro...With the increasing complexity of the current electromagnetic environment,excessive microwave radi-ation not only does harm to human health but also forms various electromagnetic interference to so-phisticated electronic instruments.Therefore,the design and preparation of electromagnetic absorbing composites represent an efficient approach to mitigate the current hazards of electromagnetic radiation.However,traditional electromagnetic absorbers are difficult to satisfy the demands of actual utilization in the face of new challenges,and emerging absorbents have garnered increasing attention due to their structure and performance-based advantages.In this review,several emerging composites of Mxene-based,biochar-based,chiral,and heat-resisting are discussed in detail,including their synthetic strategy,structural superiority and regulation method,and final optimization of electromagnetic absorption ca-pacity.These insights provide a comprehensive reference for the future development of new-generation electromagnetic-wave absorption composites.Moreover,the potential development directions of these emerging absorbers have been proposed as well.展开更多
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
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
Objective This study aimed to study the effects of different crystalline states of Sheng Shigao(raw gypsum,RG)and its inorganic elements on the antipyretic efficacy of Baihu Decoction(BHT).Methods RG samples calcined ...Objective This study aimed to study the effects of different crystalline states of Sheng Shigao(raw gypsum,RG)and its inorganic elements on the antipyretic efficacy of Baihu Decoction(BHT).Methods RG samples calcined at different temperatures were prepared.The phase composition of RG and Duan Shigao(calcination of gypsum,CG)as well as the changes in phase composition before and after adding water to RG calcined at specific temperatures,were determined using X-ray diffraction(XRD).A fever model was established by subcutaneously injecting 20%yeast suspension(10 mL·kg~(-1))into the backs of rats.The effects of BHT containing RG in different crystalline states on rat body temperature were measured.Serum levels of IL-1β,IL-6,and hypothalamic prostaglandin E2(PGE_2)were detected using ELISA.Serum Ca~(2+)levels were measured using a microplate method.The content of trace elements in RG and CG and the corresponding freeze-dried BHT powder was determined using inductively coupled plasma mass spectrometry(ICP-MS).The complexation of representative inorganic elements with mangiferin,a major active component in BHT,was investigated using UV-Vis spectroscopy and fluorescence spectroscopy.A validation model was established using RAW264.7 mouse macrophages.Drug-containing serum of BHT with different inorganic elements was prepared,and the nitric oxide(NO)levels in the cell supernatant of different treatment groups were measured using the Griess method.The mRNA levels of IL-6,TNF-α,and PGE2in each group were detected using qPCR(real-time fluorescent quantitative PCR).Results After calcination,the phase composition of RG changed,and the content of inorganic elements in RG,CG170(RG calcined at 170°C),and CG350(RG calcined at 350°C)showed similar trends.Compared with RG,the content of Ca,Sr,Al,and Na in CG changed significantly.Compared with BHT,the content of Ca,Sr,Si,and Na in CG changed significantly when incorporated into the formula.Intermolecular interactions confirmed strong binding between mangiferin and Cu~(2+)and Al~(3+).Cu~(2+)and Fe~(3+)exhibited fluorescence quenching effects on mangiferin solution,while Al~(3+)and Zn~(2+)showed strong fluorescence enhancement,with fluorescence intensity increasing by 120-fold and 30-fold,respectively.In vitro evaluation of synergistic anti-inflammatory effects confirmed that Ca,Fe,Cr,Al,and Si exhibited synergistic anti-inflammatory effects.Conclusion The crystalline state of RG has little effect on its antipyretic properties,while Ca,Sr,Na,Fe,and Al are likely the key material bases influencing its efficacy.展开更多
Scientific knowledge on the chemical compositions of fine particulate matter(PM_(2.5)) is essential for properly assessing its health and climate effects,and for decisionmakers to develop efficient mitigation strategi...Scientific knowledge on the chemical compositions of fine particulate matter(PM_(2.5)) is essential for properly assessing its health and climate effects,and for decisionmakers to develop efficient mitigation strategies.A high-resolution PM_(2.5) chemical composition dataset(CAQRA-aerosol)is developed in this study,which provides hourly maps of organic carbon,black carbon,ammonium,nitrate,and sulfate in China from 2013 to 2020 with a horizontal resolution of 15 km.This paper describes the method,access,and validation results of this dataset.It shows that CAQRA-aerosol has good consistency with observations and achieves higher or comparable accuracy with previous PM_(2.5) composition datasets.Based on CAQRA-aerosol,spatiotemporal changes of different PM_(2.5) compositions were investigated from a national viewpoint,which emphasizes different changes of nitrate from other compositions.The estimated annual rate of population-weighted concentrations of nitrate is 0.23μg m^(−3)yr^(−1) from 2015 to 2020,compared with−0.19 to−1.1μg m^(−3)yr^(−1) for other compositions.The whole dataset is freely available from the China Air Pollution Data Center(https://doi.org/10.12423/capdb_PKU.2023.DA).展开更多
Gas hydrate(GH)is an unconventional resource estimated at 1000-120,000 trillion m^(3)worldwide.Research on GH is ongoing to determine its geological and flow characteristics for commercial produc-tion.After two large-...Gas hydrate(GH)is an unconventional resource estimated at 1000-120,000 trillion m^(3)worldwide.Research on GH is ongoing to determine its geological and flow characteristics for commercial produc-tion.After two large-scale drilling expeditions to study the GH-bearing zone in the Ulleung Basin,the mineral composition of 488 sediment samples was analyzed using X-ray diffraction(XRD).Because the analysis is costly and dependent on experts,a machine learning model was developed to predict the mineral composition using XRD intensity profiles as input data.However,the model’s performance was limited because of improper preprocessing of the intensity profile.Because preprocessing was applied to each feature,the intensity trend was not preserved even though this factor is the most important when analyzing mineral composition.In this study,the profile was preprocessed for each sample using min-max scaling because relative intensity is critical for mineral analysis.For 49 test data among the 488 data,the convolutional neural network(CNN)model improved the average absolute error and coefficient of determination by 41%and 46%,respectively,than those of CNN model with feature-based pre-processing.This study confirms that combining preprocessing for each sample with CNN is the most efficient approach for analyzing XRD data.The developed model can be used for the compositional analysis of sediment samples from the Ulleung Basin and the Korea Plateau.In addition,the overall procedure can be applied to any XRD data of sediments worldwide.展开更多
The chain conformation of polymers in binary solvent mixtures is a key issue in the study of functional soft matter and lies at the heart of various applications such as smart soft materials.Based on a minimal lattice...The chain conformation of polymers in binary solvent mixtures is a key issue in the study of functional soft matter and lies at the heart of various applications such as smart soft materials.Based on a minimal lattice model,we employ Monte Carlo(MC)simulation to systematically investigate the effects of solvent qualities on the conformation of a single homopolymer chain in binary mixed solvents.We also perform calculations using a Flory-type mean-field theory.We focus on how the introduction of a second solvent B affects the dependence of chain conformation on the quality of solvent A.We mainly examine the effects of the composition of solvent B,denoted by x,and the interactions between the two solvents.First,when x is low,the mean-square chain radius of gyration exhibits qualitatively similar behaviors to those in an individual solvent A,with a slight chain contraction when solvent A is very good.Second,in equal-molar mixtures with x=0.5,a homopolymer chain collapses when solvent A is either poor or very good,while expands at intermediate qualities.Lastly,at large x,a chain undergoes a coil-to-globule transition with the increasing quality of solvent A when solvent B is good,but mainly adopts the collapsed conformation when solvent B is poor.Our findings not only improve our understanding on the chain conformation in binary solvent mixtures,but also provide valuable guidance on the rational design of stimuli-responsive polymeric materials.展开更多
The boundness and compactness of products of multiplication,composition and differentiation on weighted Bergman spaces in the unit ball are studied.We define the differentiation operator on the space of holomorphic fu...The boundness and compactness of products of multiplication,composition and differentiation on weighted Bergman spaces in the unit ball are studied.We define the differentiation operator on the space of holomorphic functions in the unit ball by radial derivative.Then we extend the Sharma's results.展开更多
An energetic binder based on hydroxyl-terminated polybutadiene(HTPB),doped with different ratios of nitrocellulose(NC)(10%,20%,30%,and 50%),was developed to study the effect of NC doping on the thermal decomposition b...An energetic binder based on hydroxyl-terminated polybutadiene(HTPB),doped with different ratios of nitrocellulose(NC)(10%,20%,30%,and 50%),was developed to study the effect of NC doping on the thermal decomposition behavior of a composite propellant(CP)comprising ammonium nitrate(AN)as an oxidizer and magnesium(Mg)as a fuel.Optimization of the propellant formulation was conducted using Chemical Equilibrium with Applications-National Aeronautics and Space Administration(CEA-NASA)software,which demonstrated an increase in specific impulse by 12.09 s when the binder contained 50%NC.Fourier-transform infrared spectroscopy(FTIR)analysis confirmed the excellent compatibility between the components,and density measurements revealed an increase of 6.4%with a higher NC content.Morphological analysis using optical microscopy showed that NC doping improved the uniformity and compactness of the surface,reduced cavities,and achieved a more homogeneous particle distribution.Differential scanning calorimetry(DSC)analysis indicated a decrease in the decomposition temperature of the propellant as the NC content increased,while kinetic studies revealed a 48.68%reduction in the activation energy when 50%NC was incorporated into the binder.These findings suggest that the addition of NC enhances combustion efficiency and improves overall propellant performance.This study highlights the potential of the new HTPB-NC energetic binder as a promising approach for advancing solid propellant technology.展开更多
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
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
The aim of the present paper is to study 2-complex symmetric bounded weighted composition operators on the Fock space of C^(N) with the conjugations J and J_(t,A,b) defined by ■ respectively,where k(z_(1),...,z_N)=(...The aim of the present paper is to study 2-complex symmetric bounded weighted composition operators on the Fock space of C^(N) with the conjugations J and J_(t,A,b) defined by ■ respectively,where k(z_(1),...,z_N)=(■,...,■),t∈C,b∈C^(N) and A is a linear operator on C^(N).An example of 2-complex symmetric bounded weighted composition operator with the conjugation J_(t,A,b) is given.展开更多
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
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
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
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
基金National Natural Science Foundation of China(U22A20191)。
文摘Brazing filler metals are widely applied,which serve as an industrial adhesive in the joining of dissimilar structures.With the continuous emergence of new structures and materials,the demand for novel brazing filler metals is ever-increasing.It is of great significance to investigate the optimized composition design methods and to establish systematic design guidelines for brazing filler metals.This study elucidated the fundamental rules for the composition design of brazing filler metals from a three-dimensional perspective encompassing the basic properties of applied brazing filler metals,formability and processability,and overall cost.The basic properties of brazing filler metals refer to their mechanical properties,physicochemical properties,electromagnetic properties,corrosion resistance,and the wettability and fluidity during brazing.The formability and processability of brazing filler metals include the processes of smelting and casting,extrusion,rolling,drawing and ring-making,as well as the processes of granulation,powder production,and the molding of amorphous and microcrystalline structures.The cost of brazing filler metals corresponds to the sum of materials value and manufacturing cost.Improving the comprehensive properties of brazing filler metals requires a comprehensive and systematic consideration of design indicators.Highlighting the unique characteristics of brazing filler metals should focus on relevant technical indicators.Binary or ternary eutectic structures can effectively enhance the flow spreading ability of brazing filler metals,and solid solution structures contribute to the formability.By employing the proposed design guidelines,typical Ag based,Cu based,Zn based brazing filler metals,and Sn based solders were designed and successfully applied in major scientific and engineering projects.
基金supported by the National Natural Science Foundation of China(Grant No.2230081973)Shanghai Pilot Program for Basic Research(22TQ1400100-4).
文摘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.
文摘Fatty acids are the main constituents of vegetable oils.To determine the fatty acid compositions of small trade vegetable oils and some less well studied beneficial vegetable oils,and investigate their relationships with antioxidant activity and oxidative stability,gas chromatography-mass spectrometry was performed to characterize the associated fatty acid profiles.The antioxidant activity of vegetable oils,based on their DPPH-scavenging capacity(expressed as IC_(50) values),was used to assess their impact on human health,and their oxidative stability was characterized by performing lipid oxidation analysis to determine the oxidative induction time of fats and oils.In addition,correlation analyses were performed to examine associations between the fatty acid composition of the oils and DPPH-scavenging capacity and oxidative stability.The results revealed that among the assessed oils,coffee seed oil has the highest saturated fatty acid content(355.10 mg/g),whereas Garddenia jaminoides oil has the highest unsaturated fatty acid content(844.84 mg/g).Coffee seed oil was also found have the lowest DPPH IC_(50) value(2.30 mg/mL)and the longest oxidation induction time(17.09 h).Correlation analysis revealed a significant linear relationship(P<0.05)between oxidative stability and unsaturated fatty acid content,with lower contents tending to be associated with better oxidative stability.The findings of this study provide reference data for the screening of functional edible vegetable oils.
基金supported by the National Natural Science Foundation of China(No.62374142)Fundamental Research Funds for the Central Universities(Nos.20720220085 and 20720240064)+2 种基金External Cooperation Program of Fujian(No.2022I0004)Major Science and Technology Project of Xiamen in China(No.3502Z20191015)Xiamen Natural Science Foundation Youth Project(No.3502Z202471002)。
文摘Super-fine electrohydrodynamic inkjet(SIJ)printing of perovskite nanocrystal(PNC)colloid ink exhibits significant potential in the fabrication of high-resolution color conversion microstructures arrays for fullcolor micro-LED displays.However,the impact of solvent on both the printing process and the morphology of SIJ-printed PNC color conversion microstructures remains underexplored.In this study,we prepared samples of CsPbBr3PNC colloid inks in various solvents and investigated the solvent's impact on SIJ printed PNC microstructures.Our findings reveal that the boiling point of the solvent is crucial to the SIJ printing process of PNC colloid inks.Only does the boiling point of the solvent fall in the optimal range,the regular positioned,micron-scaled,conical PNC microstructures can be successfully printed.Below this optimal range,the ink is unable to be ejected from the nozzle;while above this range,irregular positioned microstructures with nanoscale height and coffee-ring-like morphology are produced.Based on these observations,high-resolution color conversion PNC microstructures were effectively prepared using SIJ printing of PNC colloid ink dispersed in dimethylbenzene solvent.
基金supported by the Surface Project of Local De-velopment in Science and Technology Guided by Central Govern-ment(No.2021ZYD0041)the National Natural Science Founda-tion of China(Nos.52377026 and 52301192)+3 种基金the Natural Science Foundation of Shandong Province(No.ZR2019YQ24)the Taishan Scholars and Young Experts Program of Shandong Province(No.tsqn202103057)the Special Financial of Shandong Province(Struc-tural Design of High-efficiency Electromagnetic Wave-absorbing Composite Materials and Construction of Shandong Provincial Tal-ent Teams)the“Sanqin Scholars”Innovation Teams Project of Shaanxi Province(Clean Energy Materials and High-Performance Devices Innovation Team of Shaanxi Dongling Smelting Co.,Ltd.).
文摘With the increasing complexity of the current electromagnetic environment,excessive microwave radi-ation not only does harm to human health but also forms various electromagnetic interference to so-phisticated electronic instruments.Therefore,the design and preparation of electromagnetic absorbing composites represent an efficient approach to mitigate the current hazards of electromagnetic radiation.However,traditional electromagnetic absorbers are difficult to satisfy the demands of actual utilization in the face of new challenges,and emerging absorbents have garnered increasing attention due to their structure and performance-based advantages.In this review,several emerging composites of Mxene-based,biochar-based,chiral,and heat-resisting are discussed in detail,including their synthetic strategy,structural superiority and regulation method,and final optimization of electromagnetic absorption ca-pacity.These insights provide a comprehensive reference for the future development of new-generation electromagnetic-wave absorption composites.Moreover,the potential development directions of these emerging absorbers have been proposed as well.
基金the National Natural Science Foundation of China(No.22279070[L.Wang]and U21A20170[X.He])the Ministry of Science and Technology of China(No.2019YFA0705703[L.Wang])。
文摘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.
基金financially supported by the Original Exploration Project of the National Natural Science Foundation of China(No.52150079)the National Natural Science Foundation of China(Nos.U22A20130,U2004215,and 51974280)+1 种基金the Natural Science Foundation of Henan Province of China(No.232300421196)the Project of Zhongyuan Critical Metals Laboratory of China(Nos.GJJSGFYQ202304,GJJSGFJQ202306,GJJSGFYQ202323,GJJSGFYQ202308,and GJJSGFYQ202307)。
文摘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.
基金Joint Fund Project of the Henan Provincial Science and Technology Research and Development Plan(222301420060)。
文摘Objective This study aimed to study the effects of different crystalline states of Sheng Shigao(raw gypsum,RG)and its inorganic elements on the antipyretic efficacy of Baihu Decoction(BHT).Methods RG samples calcined at different temperatures were prepared.The phase composition of RG and Duan Shigao(calcination of gypsum,CG)as well as the changes in phase composition before and after adding water to RG calcined at specific temperatures,were determined using X-ray diffraction(XRD).A fever model was established by subcutaneously injecting 20%yeast suspension(10 mL·kg~(-1))into the backs of rats.The effects of BHT containing RG in different crystalline states on rat body temperature were measured.Serum levels of IL-1β,IL-6,and hypothalamic prostaglandin E2(PGE_2)were detected using ELISA.Serum Ca~(2+)levels were measured using a microplate method.The content of trace elements in RG and CG and the corresponding freeze-dried BHT powder was determined using inductively coupled plasma mass spectrometry(ICP-MS).The complexation of representative inorganic elements with mangiferin,a major active component in BHT,was investigated using UV-Vis spectroscopy and fluorescence spectroscopy.A validation model was established using RAW264.7 mouse macrophages.Drug-containing serum of BHT with different inorganic elements was prepared,and the nitric oxide(NO)levels in the cell supernatant of different treatment groups were measured using the Griess method.The mRNA levels of IL-6,TNF-α,and PGE2in each group were detected using qPCR(real-time fluorescent quantitative PCR).Results After calcination,the phase composition of RG changed,and the content of inorganic elements in RG,CG170(RG calcined at 170°C),and CG350(RG calcined at 350°C)showed similar trends.Compared with RG,the content of Ca,Sr,Al,and Na in CG changed significantly.Compared with BHT,the content of Ca,Sr,Si,and Na in CG changed significantly when incorporated into the formula.Intermolecular interactions confirmed strong binding between mangiferin and Cu~(2+)and Al~(3+).Cu~(2+)and Fe~(3+)exhibited fluorescence quenching effects on mangiferin solution,while Al~(3+)and Zn~(2+)showed strong fluorescence enhancement,with fluorescence intensity increasing by 120-fold and 30-fold,respectively.In vitro evaluation of synergistic anti-inflammatory effects confirmed that Ca,Fe,Cr,Al,and Si exhibited synergistic anti-inflammatory effects.Conclusion The crystalline state of RG has little effect on its antipyretic properties,while Ca,Sr,Na,Fe,and Al are likely the key material bases influencing its efficacy.
基金support from the National Key Scientific and Technological Infrastructure project “Earth System Science Numerical Simulator Facility” (Earth Lab)sponsored by the National Natural Science Foundation of China (Grant Nos. 42175132, 92044303, and 42205119)+2 种基金the National Key R&D Program (Grant Nos. 2020YFA0607802 and 2022YFC3703003)the CAS Information Technology Program (Grant No. CAS-WX2021SF-0107-02)the fellowship of China Postdoctoral Science Foundation (Grant No. 2022M723093)
文摘Scientific knowledge on the chemical compositions of fine particulate matter(PM_(2.5)) is essential for properly assessing its health and climate effects,and for decisionmakers to develop efficient mitigation strategies.A high-resolution PM_(2.5) chemical composition dataset(CAQRA-aerosol)is developed in this study,which provides hourly maps of organic carbon,black carbon,ammonium,nitrate,and sulfate in China from 2013 to 2020 with a horizontal resolution of 15 km.This paper describes the method,access,and validation results of this dataset.It shows that CAQRA-aerosol has good consistency with observations and achieves higher or comparable accuracy with previous PM_(2.5) composition datasets.Based on CAQRA-aerosol,spatiotemporal changes of different PM_(2.5) compositions were investigated from a national viewpoint,which emphasizes different changes of nitrate from other compositions.The estimated annual rate of population-weighted concentrations of nitrate is 0.23μg m^(−3)yr^(−1) from 2015 to 2020,compared with−0.19 to−1.1μg m^(−3)yr^(−1) for other compositions.The whole dataset is freely available from the China Air Pollution Data Center(https://doi.org/10.12423/capdb_PKU.2023.DA).
基金supported by the Gas Hydrate R&D Organization and the Korea Institute of Geoscience and Mineral Resources(KIGAM)(GP2021-010)supported by the National Research Foundation of Korea(NRF)grant funded by the Korean government(MSIT)(No.2021R1C1C1004460)Korea Institute of Energy Technology Evaluation and Planning(KETEP)grant funded by the Korean government(MOTIE)(20214000000500,Training Program of CCUS for Green Growth).
文摘Gas hydrate(GH)is an unconventional resource estimated at 1000-120,000 trillion m^(3)worldwide.Research on GH is ongoing to determine its geological and flow characteristics for commercial produc-tion.After two large-scale drilling expeditions to study the GH-bearing zone in the Ulleung Basin,the mineral composition of 488 sediment samples was analyzed using X-ray diffraction(XRD).Because the analysis is costly and dependent on experts,a machine learning model was developed to predict the mineral composition using XRD intensity profiles as input data.However,the model’s performance was limited because of improper preprocessing of the intensity profile.Because preprocessing was applied to each feature,the intensity trend was not preserved even though this factor is the most important when analyzing mineral composition.In this study,the profile was preprocessed for each sample using min-max scaling because relative intensity is critical for mineral analysis.For 49 test data among the 488 data,the convolutional neural network(CNN)model improved the average absolute error and coefficient of determination by 41%and 46%,respectively,than those of CNN model with feature-based pre-processing.This study confirms that combining preprocessing for each sample with CNN is the most efficient approach for analyzing XRD data.The developed model can be used for the compositional analysis of sediment samples from the Ulleung Basin and the Korea Plateau.In addition,the overall procedure can be applied to any XRD data of sediments worldwide.
基金financially supported by the National Natural Science Foundation of China(Nos.22473024,22073016 and 21803011)the award of Shanghai Dongfang Scholar。
文摘The chain conformation of polymers in binary solvent mixtures is a key issue in the study of functional soft matter and lies at the heart of various applications such as smart soft materials.Based on a minimal lattice model,we employ Monte Carlo(MC)simulation to systematically investigate the effects of solvent qualities on the conformation of a single homopolymer chain in binary mixed solvents.We also perform calculations using a Flory-type mean-field theory.We focus on how the introduction of a second solvent B affects the dependence of chain conformation on the quality of solvent A.We mainly examine the effects of the composition of solvent B,denoted by x,and the interactions between the two solvents.First,when x is low,the mean-square chain radius of gyration exhibits qualitatively similar behaviors to those in an individual solvent A,with a slight chain contraction when solvent A is very good.Second,in equal-molar mixtures with x=0.5,a homopolymer chain collapses when solvent A is either poor or very good,while expands at intermediate qualities.Lastly,at large x,a chain undergoes a coil-to-globule transition with the increasing quality of solvent A when solvent B is good,but mainly adopts the collapsed conformation when solvent B is poor.Our findings not only improve our understanding on the chain conformation in binary solvent mixtures,but also provide valuable guidance on the rational design of stimuli-responsive polymeric materials.
基金Supported by Natural Science Foundation of Guangdong Province in China(2018KTSCX161)。
文摘The boundness and compactness of products of multiplication,composition and differentiation on weighted Bergman spaces in the unit ball are studied.We define the differentiation operator on the space of holomorphic functions in the unit ball by radial derivative.Then we extend the Sharma's results.
文摘An energetic binder based on hydroxyl-terminated polybutadiene(HTPB),doped with different ratios of nitrocellulose(NC)(10%,20%,30%,and 50%),was developed to study the effect of NC doping on the thermal decomposition behavior of a composite propellant(CP)comprising ammonium nitrate(AN)as an oxidizer and magnesium(Mg)as a fuel.Optimization of the propellant formulation was conducted using Chemical Equilibrium with Applications-National Aeronautics and Space Administration(CEA-NASA)software,which demonstrated an increase in specific impulse by 12.09 s when the binder contained 50%NC.Fourier-transform infrared spectroscopy(FTIR)analysis confirmed the excellent compatibility between the components,and density measurements revealed an increase of 6.4%with a higher NC content.Morphological analysis using optical microscopy showed that NC doping improved the uniformity and compactness of the surface,reduced cavities,and achieved a more homogeneous particle distribution.Differential scanning calorimetry(DSC)analysis indicated a decrease in the decomposition temperature of the propellant as the NC content increased,while kinetic studies revealed a 48.68%reduction in the activation energy when 50%NC was incorporated into the binder.These findings suggest that the addition of NC enhances combustion efficiency and improves overall propellant performance.This study highlights the potential of the new HTPB-NC energetic binder as a promising approach for advancing solid propellant technology.
基金supported by Research Project of Petro-China Southwest Oil&Gas Field Company,China(No.2024D106-03-02).
文摘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.
基金supported by the National Natural Science Foundation of China(Grant Nos.52306125,52176095)Natural Science Research Project of Colleges and Universities in Anhui Province(Nos.2022AH050311,KJ2020ZD29)Anhui Provincial Natural Science Foundation(No.2008085J25).
文摘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.
基金Supported by Sichuan Science and Technology Program (No.2022ZYD0010)。
文摘The aim of the present paper is to study 2-complex symmetric bounded weighted composition operators on the Fock space of C^(N) with the conjugations J and J_(t,A,b) defined by ■ respectively,where k(z_(1),...,z_N)=(■,...,■),t∈C,b∈C^(N) and A is a linear operator on C^(N).An example of 2-complex symmetric bounded weighted composition operator with the conjugation J_(t,A,b) is given.
基金the financial support from the National Natural Science Foundation of China(Nos.51904005,52304362)the Key Research Foundation of University in Anhui Province,China(No.2023AH051113)+1 种基金the Key Laboratory of Ionic Rare Earth Resources and Environment,Ministry of Natural Resources,China(No.2022IRERE203)the Distinguished Young Research Project of Anhui Higher Education Institution,China(No.2023AH020017)。
文摘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.
基金supported by the National Key Research and Development Program of China(2022YFB3504702)support from Horizon-EIC,Pathfinder challenges(101070976)+3 种基金support from the National Natural Science Foundation of China(22278402,22478389)the Key Research and Development Program of Henan Province(231111241800)State Key Laboratory of Mesoscience and Engineering(MESO-23-A08)the Frontier Basic Research Projects of Institute of Process Engineering,CAS(QYJC-2023-03).
文摘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.
基金supported by the Scientific Research and Technology Development Projects of PetroChina(2023ZZ22-02)the Local Efficient Reform and Development Funds for Personnel Training Projectsthe China Scholarship Council(CSC)via a Ph.D.Scholarship(No.202008510128).
文摘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.
基金supported by the Major Research Plan of the National Natural Science Foundation of China(92372104)Guangdong Basic and Applied Basic Research Foundation(2022A1515110016)+3 种基金the Recruitment Program of Guangdong(2016ZT06C322)R&D Program of Guangzhou(2023A04J1364)Fundamental Research Funds for the Central Universities(2024ZYGXZR043)TCL Science and Technology Innovation Fund。
文摘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.
