While nuclear energy represents a low-carbon and high-efficiency energy source that plays a vital role in the global energy mix,the limitations of spent fuel reprocessing technology pose a major challenge to its susta...While nuclear energy represents a low-carbon and high-efficiency energy source that plays a vital role in the global energy mix,the limitations of spent fuel reprocessing technology pose a major challenge to its sustainable development.The PUREX(plutonium uranium redox extraction)process is currently the dominant nuclear fuel reprocessing technology in the world.However,the key extractant in this process is tributyl phosphate(TBP),which degrades under intense radiation,high temperatures,and strong acidity.This leads to the production of dibutyl phosphate,monobutyl phosphate,and other degradation byproducts,which may reduce the extraction efficiency and trigger third-phase formation and equipment corrosion.This paper systematically reviews the degradation mechanisms of TBP and its diluents,the analytical technique suitable for characterizing degradation products,and the impact of degradation products on the post-treatment process.Additionally,optimization strategies employed for suppressing third-phase formation are discussed.This study offers a theoretical foundation and technical insights in optimizing the PUREX process and ensuring the safe operation of the post-treatment process.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
Phosphoric acid treated niobic acid(NbP)was used for the dehydration of xylose to furfural in biphasic solvent system,which was found to exhibit the best performance among the tested catalysts.The excellent performanc...Phosphoric acid treated niobic acid(NbP)was used for the dehydration of xylose to furfural in biphasic solvent system,which was found to exhibit the best performance among the tested catalysts.The excellent performance of NbP could be explained by the better synergistic cooperation between Bro¨nsted and Lewis acid sites.Moreover,NbP showed good stability and no obvious deactivation or leaching of Nb could be observed after six continuous recycles.展开更多
Decreasing the acetic acid consumption in purified terephthalic acid （PTA） solvent system has become a hot issue with common concern. In accordance with the technical features, the electrical conductivity is in dire...Decreasing the acetic acid consumption in purified terephthalic acid （PTA） solvent system has become a hot issue with common concern. In accordance with the technical features, the electrical conductivity is in direct proportion to the acetic acid content. General regression neural network （GRNN） is used to establish the model of electrical conductivity on the basis of mechanism analysis, and then particle swarm optimization （PSO） algorithm with the improvement of inertia weight and population diversity is proposed to regulate the operating conditions. Thus, the method of decreasing the acid loss is derived and applied to PTA solvent system in a chemical plant. Cases studies show that the precision of modeling and optimization are higher. The results also provide the optimal operating conditions, which decrease the cost and improve the profit.展开更多
In order to theoretically study the growth morphology of dihydroxylammonium 5,5’-bistetrazole-1,1’-dio late(TKX-50)crystal in different solvent systems,crystal–solvent models were established,and then molecular dyn...In order to theoretically study the growth morphology of dihydroxylammonium 5,5’-bistetrazole-1,1’-dio late(TKX-50)crystal in different solvent systems,crystal–solvent models were established,and then molecular dynamics(MD)methods were adopted as a means to simulate particle motion.Modified attachment energy(MAE)model was employed to calculate the growth morphology of TKX-50.The simulation results demonstrate that COMPASS force field and RESP charge are suitable for molecular dynamics simulation of TKX-50.The morphologically dominant growth surfaces of TKX-50 in vacuum are(020),(011),(11–1),(100)and(120),respectively.In water(H_(2)O)and N,N-dimethylformamide(DMF)solvents,the(11–1)face is the largest in the habit face,the growth rate of(020)face becomes faster.With the increase of temperature,the aspect ratios of TKX-50 crystal in DMF solvent increase,and the areas of the(120)faces decrease.In ethylene glycol/H_(2)O mixed solvent system with volume ratio of 1/1,aspect ratio of TKX-50 is relatively small.In formic acid/H_(2)O mixed solvents with different volume ratios(1/4,1/3,1/2,1/1 and 2/1),aspect ratio of TKX-50 is relatively small when volume ratio is 1/2.展开更多
Infrared spectroscopy studies of 2 methyl 4,5 dimethoxy 3 oxo 2H pyridizine (MDOP) in 12 pure organic solvents were undertaken to investigate the solvent solute interactions. The frequencies of the carbonyl (C...Infrared spectroscopy studies of 2 methyl 4,5 dimethoxy 3 oxo 2H pyridizine (MDOP) in 12 pure organic solvents were undertaken to investigate the solvent solute interactions. The frequencies of the carbonyl (C=O) of MDOP were correlated with solvent properties such as solvent acceptor number (AN) and the linear solvation energy relationships (LSER). These frequencies showed a good correlation with the solvent acceptor number (AN) and the LSER.展开更多
For the design of eutectic solvents(ESs,usually also known as deep eutectic solvents),the prediction of the solid–liquid equilibria(SLE)between candidate components is of primary relevance.In the present work,the SLE...For the design of eutectic solvents(ESs,usually also known as deep eutectic solvents),the prediction of the solid–liquid equilibria(SLE)between candidate components is of primary relevance.In the present work,the SLE prediction of binary eutectic solvent systems by the COSMO-RS model is systematically evaluated,thereby examining the applicability of this method for ES design.Experimental SLE of such systems are first collected exhaustively from the literature,following which COSMO-RS SLE calculations are accordingly carried out.By comparing the experimental and predicted eutectic points(eutectic temperature and eutectic composition)of the involved systems,the effects of salt component conformer and COSMO-RS parameterization as well as the applicability for different types of components(specifically the second component paired with the first salt one)are identified.The distinct performances of COSMO-RS SLE prediction for systems involving different types of components are further interpreted from the non-ideality and fusion enthalpy point of view.展开更多
The supercritical antisolvent （SAS） process has been developed in recent years for the tormation of nanoand micro-particles. It is necessary to study the liquid phase volume expansion （LPVE） and find the relations...The supercritical antisolvent （SAS） process has been developed in recent years for the tormation of nanoand micro-particles. It is necessary to study the liquid phase volume expansion （LPVE） and find the relationships between the operating conditions and the LPVE in order to develop a practical method for determining the operation conditions and selecting an organic solvent for SAS process. The PR equation of state with vdW-1 mixing rule is used to calculate the LPVE for CO2/toluene, CO2/acetone and CO2/ethyl acetate systems, and the results show that the LPVE for each CO2/organic solvent system decreases as the temperature increases. The relationship between the LPVE and the solubility of CO2 in the liquid phase for CO2/organic solvent systems is investigated, and the results show that the LPVE is determined directly by the solubility of CO2 in the liquid phase, xCO2, and can be related to xCO2 independently. No matter what system of CO2/organic solvent is and how different the temperature is, the LPVEs have little difference as long as the solubility of CO2 in the liquid phase, xCO2, keeps constant. The lower temperature is always favorable to the SAS process. The higher the solubility of CO2 in an organic solvent under certain operation condition, the more suitable it is to the SAS process.展开更多
The Vrentas-Duda free-volume theory has been extensively used tocorrelated or predict the solvent diffusion coefficient of apolymer/solvent system. The energy term in the free volume diffusionequation is difficult to ...The Vrentas-Duda free-volume theory has been extensively used tocorrelated or predict the solvent diffusion coefficient of apolymer/solvent system. The energy term in the free volume diffusionequation is difficult to estimate, so the energy term was usuallyneglected in previous predictive versions of the free volumediffusion coefficient equation. Recent studies show that the energyeffect is very important even above the glass transition temperatureof the system. In this paper, a new evaluating method of the energyterm is proposed, that is, the diffusion energy at different solventconcentrations is assumed to be a linear function of the solventdiffusion energy in pure solvents and that in polymers under thecondition that the solvent in infinite dilution.展开更多
Several solvents had been used to extract the SARA (Saturate, Aromatic, Resin and Asphaltene) constituents of bitumen. The quantification of such extracts also abounds in open literature but in this work an attempt wa...Several solvents had been used to extract the SARA (Saturate, Aromatic, Resin and Asphaltene) constituents of bitumen. The quantification of such extracts also abounds in open literature but in this work an attempt was made to determine the quality of extraction as a feed stock for processing bitumen using a mixed solvent system. A mixture of heptane and toluene was used to compare with the standard method using heptane. The components were analysed for functional groups of compound types presented in them using Fourier Transform Infrared Spectrophotometry technique (FTIR). The quality of bitumen component extract was not significantly affected by the method of extraction as recommended by the ASTM. The components are mixture of different class of hydrocarbons such as saturated and unsaturated hydrocarbons which conformed to what had earlier been reported by other researchers.展开更多
Coptis chinensis Franch, a widely used Traditional Chinese Medicine, shows various kinds of bioactivity. The major active components of the herb are considered to be alkaloids. Thus, preparative separation of these al...Coptis chinensis Franch, a widely used Traditional Chinese Medicine, shows various kinds of bioactivity. The major active components of the herb are considered to be alkaloids. Thus, preparative separation of these alkaloids is critical important for further pharmacology and mechanism studies. In the paper, five alkaloids from C. chinensis were purified by HSCCC using the solvent system composed of chloro-form-metha- nol-water (2:1:1, v/v/v) single prepared. The content of each solvent in solvent system were determined by gas chromatography (GC), then according the ratios of solvents in each phase to prepare the mobile and stationary phase respectively. And a comparative study was carried out between together preparation and single preparation of the solvent system. The purities and recoveries of all the products were over 98.5% and 92%. However, 134 mL chloroform, 336 mL methanol and 452 mL water were saved when the two phase were singled by GC. Our research showed an economical method for separating alkaloids from C. chinensis by HSCCC using the solvent system single prepared by GC.展开更多
Prosopis farcta, a plant belongs to the mimosoideae, is characterized by a very wide spectrum of various bioactive and medical constituents. Vitexin, the marker flavonoid found in Prosopis, has potent and broad antitu...Prosopis farcta, a plant belongs to the mimosoideae, is characterized by a very wide spectrum of various bioactive and medical constituents. Vitexin, the marker flavonoid found in Prosopis, has potent and broad antitumour efficacy in preclinical models. Many studies had been done for the isolation of flavonoids (vitexin) by completely different chromatographically methodology. During this study, vitexin was isolated from Prosopis farcta by 6 different extraction methods in which parameters as the type, concentration and pH of the extracting solvents considered. Among different solvent systems used, methanol-water (40%, containing acetic acid 0.5%) was found to be the best solvent generating the highest yield (0.554 mg·g-1 DW) from Prosopis leaves. The present work suggests an efficient method for estimation the greatest content of vitexin analyzed by HPLC technique and introduces Prosopis farcta as a suitable source of this flavonoid with several pharmacological properties.展开更多
Current industrial methods for dissolution of cellulose in making regenerated cellulose products are relatively expensive,toxic and dangerous and have environmental problems coming with the hazard chemical wastes.To s...Current industrial methods for dissolution of cellulose in making regenerated cellulose products are relatively expensive,toxic and dangerous and have environmental problems coming with the hazard chemical wastes.To solve these problems,a novel ethylenediamine and potassium thiocyanate(ED/KSCN)solvent system was developed,that is economical,ecofriendly,and highly efficient.The ED/KSCN solvent system was proven to be a suitable solvent for fabricating cellulose(blended with other polymers)membranes.In this study,gluten was used to develop nonporous membranes with cellulose.The method of casting these membranes provided better ones than the former researchers’techniques.These composite membranes’physical and mechanical properties were studied by analysis of morphology,viscosity,crystallinity,thermal behaviors,tensile properties and water absorption of membranes.Results showed that membranes are nonporous,uniform,strong,flexible,ecofriendly and renewable.Mechanical and physical properties were influenced by the ratio of cellulose/gluten.By blending 40% gluten,the tensile strength of cellulose membrane dropped to 15.89 MPa from 35.11 MPa.However,its elongation at break increased from 35.3% to 57.02% accordingly.展开更多
This research on the solvent effects of 2 methyl 4,5 dimethoxy 3 oxo 2H pyridizine (MDOP) in binary solvent systems on the infrared spectra for MDOP in n hexane/CHCl 3 mixture solvents showed that there were ...This research on the solvent effects of 2 methyl 4,5 dimethoxy 3 oxo 2H pyridizine (MDOP) in binary solvent systems on the infrared spectra for MDOP in n hexane/CHCl 3 mixture solvents showed that there were three forms of carbonyl stretching vibration band [ υ (C=O)] of MPOP as the mole fraction of CHCl 3 in the binary solvents changes. In pure n hexane solvent, the υ (C=O) of MDOP appeared at a relatively high wavenumber. With CHCl 3 added, the υ (C=O) shifted to lower wavenumbers. Two new bands were observed over a certain range of mixture solvent compositions. The origin of the bands was discussed in the terms of two kinds of hydrogen bond together with their individual dependence on mixture composition. Comparisons were drawn for the solvent sensitivities of υ (C=O) for propanone.展开更多
Combining transparent embedding with sectioning is likely to be the future direction for tissue clearing and 3-dimensional(3D)imaging.A newly published transparent embedding system,TESOS(Transparent Embedding Solvent ...Combining transparent embedding with sectioning is likely to be the future direction for tissue clearing and 3-dimensional(3D)imaging.A newly published transparent embedding system,TESOS(Transparent Embedding Solvent System),ensures consistent submicron resolution imaging throughout the entire sample,and can be compatible with different microscopy systems.This method shows great potential in connectome mapping,and might be an optimal option for future 3D multiplex immunofluorescence and RNA in situ hybridization imaging.Additional efforts would be needed to innovate labeling,imaging,and data processing strategies to fully utilize the potential of transparent embedding systems in highresolution imaging of large-scale samples.展开更多
Four distinct coordination polymers(CPs)were successfully synthesized by altering solvent types and adjusting ligand concentrations,and their crystal structures were investigated.[Co(L)(FDCA)(H_(2)O)_(2)]·0.5H_(2...Four distinct coordination polymers(CPs)were successfully synthesized by altering solvent types and adjusting ligand concentrations,and their crystal structures were investigated.[Co(L)(FDCA)(H_(2)O)_(2)]·0.5H_(2)O(1)was synthesized as a 2D structure using Coas the metal source,methanol‑water(4∶6,V/V)as the solvent,and specific concentrations of 2,5‑furandicarboxylic acid(H_(2)FDCA)and 1,3,5‑triimidazole benzene(L).Adjusting to pure water and lowering the concentration of L yielded the 1D chain structure of[Co(HL)2(H_(2)O)_(2)](FDCA)_(2)·6H_(2)O(2).Using Cu(Ⅱ)as the metal source,methanol/water(9∶1,V/V)as the solvent,and specific concentrations of L and H2FDCA,the 1D chain structure of[Cu(L)(FDCA)(H_(2)O)]·2H_(2)O(3)was synthesized.Upon increasing the concentrations of L and H2FDCA,and switching the solvent to pure water,the 1D chain structure of[Cu(HL)_(2)(H_(2)O)_(2)](FDCA)_(2)·6H_(2)O(4)was obtained.This shows that changing the solvent and ligand concentrations can affect the structural changes of CPs.In addition,the solid‑state photoluminescence of CPs 1‑4 at room temperature was studied,and their morphological changes were observed via scanning electron microscopy.Density functional theory calculations revealed that the negative charge concentrates on the O and N atoms of the ligand,facilitating ligand‑metal ion coordination.CCDC:2403934,1;2403935,2;2403936,3;2403938,4.展开更多
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
This study details a comprehensive approach focusing on the effective separation of light rare earth elements(REEs)via solvent extraction technique.A stock solution containing lanthanum,cerium,neodymium,praseodymium,a...This study details a comprehensive approach focusing on the effective separation of light rare earth elements(REEs)via solvent extraction technique.A stock solution containing lanthanum,cerium,neodymium,praseodymium,and samarium was prepared by dissolving their pure mixed oxide(reclaimed from spent Ni-MH batteries)in a diluted HCl solution.Key extractants,including bis(2,4,4-trimethylpentyl)phosphinic acid(Cyanex 272),Cyanex 572,trialkylphosphine oxide(Cyanex 923),and 2-ethylhexylphosphonic acid mono-2-ethylhexyl ester(PC 88A),along with tributyl phosphate(TBP)as a phase modifier,were utilized to form organic systems.The extraction behavior and separability of these systems at various pH levels as well as their extraction mechanisms were investigated.The results demonstrated a direct relationship between the extraction trend and the experimental pH value,with enhanced selectivity when TBP was added.Notably,Nd and Pr exhibited similar extraction behaviors,with minor deviations from Ce,making their separation difficult to achieve.Sm extraction followed a distinct trend,allowing for its separation from other elements at pH≤2.In contrast,La exhibited a low affinity for coordination with extractants when pH was≤3.5,facilitating the separation of other elements from La,which could then be isolated in the raffinate.Among the studied organic systems,combinations of Cyanex 572 and PC 88A with TBP demonstrated superior performance in element separation.Optimum separation factors were calculated withβ_(Ce/La)=12,βNd/La=87,β_(Pr/La)=127,andβ_(Sm/La)=3191 for the former,andβ_(Sm/Ce)=54,β_(Sm/Nd)=20,andβ_(Sm/Pr)=14 for the latter.These findings provide valuable insights for selecting extraction systems and designing experiments for the effective solvent extraction separation of light REEs from their mixture.展开更多
Commercial carbonate electrolytes suffer from ion transport difficulty in bulk electrolytes and interphase at low temperatures,bringing challenges to the application of lithium-ion batteries(LIBs)at low temperatures.H...Commercial carbonate electrolytes suffer from ion transport difficulty in bulk electrolytes and interphase at low temperatures,bringing challenges to the application of lithium-ion batteries(LIBs)at low temperatures.Herein,the ester solvent of methyl propionate(MP)with low melting point and low viscosity was used to tackle ion transport difficulty in electrolytes.Fluorinated ester was further added to accelerate interfacial transport through intermolecular interactions.The influence of fluorinated esters with different fluorination degrees on the solvation structure of electrolytes and the performance of batteries was further studied.As a result,methyl pentafluoropropionate(M5F)with five fluorine atoms was selected for its optimal interactions with both Li+and MP solvent in the primary solvation structure,contributing to desired solvation structure for fast interfacial transport.The LiFePO_(4)(LFP)||graphite cell with LiFSI-MP-M5F electrolyte exhibited a high cyclability of 85.8%after 120 cycles and retained 81.2%of room-temperature capacity when charged and discharged at−30℃.1 Ah LFP||graphite pouch cell with high cathode loading(20 mg/cm^(2))in LiFSI-MP-M5F electrolyte exhibited 0.85 Ah capacity when charged and discharged at−20℃.This work provides a guidance for electrolyte design by synergistic fluorinated and non-fluorinated solvents for LIBs at low-temperature application.展开更多
Rechargeable lithium–sulfur(Li–S)batteries are considered promising next-generation energy storage systems owing to their high theoretical energy density,but their application is hindered by the shuttle effect arisi...Rechargeable lithium–sulfur(Li–S)batteries are considered promising next-generation energy storage systems owing to their high theoretical energy density,but their application is hindered by the shuttle effect arising from dissolved lithium polysulfides(LiPSs).Herein,we design an optimized electrolyte to achieve long-term stability by employing an appropriate low-polarity solvent.A combination of diethyl ether(DEE)and 1,2-dimethoxyethane(DME)was selected to improve Li metal stability even in the presence of LiPSs.The DEE/DME electrolyte not only suppresses parasitic reactions between Li and LiPSs but also promotes uniform Li deposition.Moreover,operando optical microscopy was employed to directly visualize electrolyte stability and dendrite evolution in real time,while quantitative analysis was conducted via normalized hue index and contour image mapping.The enhanced anode stability of the DEE/DME electrolyte enabled excellent cycling performance,retaining 80.14%of its initial capacity after300 cycles at 3 C,while maintaining superior performance under practical conditions with high sulfur loading and a low E/S ratio.These findings highlight that solvent properties critically influence Li metal stabilization in Li–S batteries and underscore the significance of solvent engineering in electrolyte design.展开更多
基金supported by the Youth Talent Project of China Nuclear Power Engineering Co.,Ltd.(KY24045).
文摘While nuclear energy represents a low-carbon and high-efficiency energy source that plays a vital role in the global energy mix,the limitations of spent fuel reprocessing technology pose a major challenge to its sustainable development.The PUREX(plutonium uranium redox extraction)process is currently the dominant nuclear fuel reprocessing technology in the world.However,the key extractant in this process is tributyl phosphate(TBP),which degrades under intense radiation,high temperatures,and strong acidity.This leads to the production of dibutyl phosphate,monobutyl phosphate,and other degradation byproducts,which may reduce the extraction efficiency and trigger third-phase formation and equipment corrosion.This paper systematically reviews the degradation mechanisms of TBP and its diluents,the analytical technique suitable for characterizing degradation products,and the impact of degradation products on the post-treatment process.Additionally,optimization strategies employed for suppressing third-phase formation are discussed.This study offers a theoretical foundation and technical insights in optimizing the PUREX process and ensuring the safe operation of the post-treatment process.
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.
基金supported by the Natural Science Foundation of China (No.21106143)100-talent project of Dalian Institute of Chemical Physics (DICP)the Independent Innovation Foundation of State Key Laboratory of Catalysis (No.R201113)
文摘Phosphoric acid treated niobic acid(NbP)was used for the dehydration of xylose to furfural in biphasic solvent system,which was found to exhibit the best performance among the tested catalysts.The excellent performance of NbP could be explained by the better synergistic cooperation between Bro¨nsted and Lewis acid sites.Moreover,NbP showed good stability and no obvious deactivation or leaching of Nb could be observed after six continuous recycles.
基金Supported by the National Natural Science Foundation of China （60774079）, the National High Technology Research and Development Program of China （2006AA04Z184）, and Sinopec Science ＆ Technology Development Project of China （205073）.
文摘Decreasing the acetic acid consumption in purified terephthalic acid （PTA） solvent system has become a hot issue with common concern. In accordance with the technical features, the electrical conductivity is in direct proportion to the acetic acid content. General regression neural network （GRNN） is used to establish the model of electrical conductivity on the basis of mechanism analysis, and then particle swarm optimization （PSO） algorithm with the improvement of inertia weight and population diversity is proposed to regulate the operating conditions. Thus, the method of decreasing the acid loss is derived and applied to PTA solvent system in a chemical plant. Cases studies show that the precision of modeling and optimization are higher. The results also provide the optimal operating conditions, which decrease the cost and improve the profit.
基金supported by Fundamental Research Program of Shanxi Province(20210302123055)and(201801D221035).
文摘In order to theoretically study the growth morphology of dihydroxylammonium 5,5’-bistetrazole-1,1’-dio late(TKX-50)crystal in different solvent systems,crystal–solvent models were established,and then molecular dynamics(MD)methods were adopted as a means to simulate particle motion.Modified attachment energy(MAE)model was employed to calculate the growth morphology of TKX-50.The simulation results demonstrate that COMPASS force field and RESP charge are suitable for molecular dynamics simulation of TKX-50.The morphologically dominant growth surfaces of TKX-50 in vacuum are(020),(011),(11–1),(100)and(120),respectively.In water(H_(2)O)and N,N-dimethylformamide(DMF)solvents,the(11–1)face is the largest in the habit face,the growth rate of(020)face becomes faster.With the increase of temperature,the aspect ratios of TKX-50 crystal in DMF solvent increase,and the areas of the(120)faces decrease.In ethylene glycol/H_(2)O mixed solvent system with volume ratio of 1/1,aspect ratio of TKX-50 is relatively small.In formic acid/H_(2)O mixed solvents with different volume ratios(1/4,1/3,1/2,1/1 and 2/1),aspect ratio of TKX-50 is relatively small when volume ratio is 1/2.
文摘Infrared spectroscopy studies of 2 methyl 4,5 dimethoxy 3 oxo 2H pyridizine (MDOP) in 12 pure organic solvents were undertaken to investigate the solvent solute interactions. The frequencies of the carbonyl (C=O) of MDOP were correlated with solvent properties such as solvent acceptor number (AN) and the linear solvation energy relationships (LSER). These frequencies showed a good correlation with the solvent acceptor number (AN) and the LSER.
基金the support of the Sino-German joint research project leaded by Deutsche Forschungsgemeinshaft(DFG)National Natural Science Foundation of China(NSFC)under the grants SU 189/9-1 and 21861132019,respectively
文摘For the design of eutectic solvents(ESs,usually also known as deep eutectic solvents),the prediction of the solid–liquid equilibria(SLE)between candidate components is of primary relevance.In the present work,the SLE prediction of binary eutectic solvent systems by the COSMO-RS model is systematically evaluated,thereby examining the applicability of this method for ES design.Experimental SLE of such systems are first collected exhaustively from the literature,following which COSMO-RS SLE calculations are accordingly carried out.By comparing the experimental and predicted eutectic points(eutectic temperature and eutectic composition)of the involved systems,the effects of salt component conformer and COSMO-RS parameterization as well as the applicability for different types of components(specifically the second component paired with the first salt one)are identified.The distinct performances of COSMO-RS SLE prediction for systems involving different types of components are further interpreted from the non-ideality and fusion enthalpy point of view.
基金Supported by the National Nature Science Foundation of China (No. 20176003)
文摘The supercritical antisolvent （SAS） process has been developed in recent years for the tormation of nanoand micro-particles. It is necessary to study the liquid phase volume expansion （LPVE） and find the relationships between the operating conditions and the LPVE in order to develop a practical method for determining the operation conditions and selecting an organic solvent for SAS process. The PR equation of state with vdW-1 mixing rule is used to calculate the LPVE for CO2/toluene, CO2/acetone and CO2/ethyl acetate systems, and the results show that the LPVE for each CO2/organic solvent system decreases as the temperature increases. The relationship between the LPVE and the solubility of CO2 in the liquid phase for CO2/organic solvent systems is investigated, and the results show that the LPVE is determined directly by the solubility of CO2 in the liquid phase, xCO2, and can be related to xCO2 independently. No matter what system of CO2/organic solvent is and how different the temperature is, the LPVEs have little difference as long as the solubility of CO2 in the liquid phase, xCO2, keeps constant. The lower temperature is always favorable to the SAS process. The higher the solubility of CO2 in an organic solvent under certain operation condition, the more suitable it is to the SAS process.
基金Supported by the National Nature Science Foundation of China (No. 20076038).
文摘The Vrentas-Duda free-volume theory has been extensively used tocorrelated or predict the solvent diffusion coefficient of apolymer/solvent system. The energy term in the free volume diffusionequation is difficult to estimate, so the energy term was usuallyneglected in previous predictive versions of the free volumediffusion coefficient equation. Recent studies show that the energyeffect is very important even above the glass transition temperatureof the system. In this paper, a new evaluating method of the energyterm is proposed, that is, the diffusion energy at different solventconcentrations is assumed to be a linear function of the solventdiffusion energy in pure solvents and that in polymers under thecondition that the solvent in infinite dilution.
文摘Several solvents had been used to extract the SARA (Saturate, Aromatic, Resin and Asphaltene) constituents of bitumen. The quantification of such extracts also abounds in open literature but in this work an attempt was made to determine the quality of extraction as a feed stock for processing bitumen using a mixed solvent system. A mixture of heptane and toluene was used to compare with the standard method using heptane. The components were analysed for functional groups of compound types presented in them using Fourier Transform Infrared Spectrophotometry technique (FTIR). The quality of bitumen component extract was not significantly affected by the method of extraction as recommended by the ASTM. The components are mixture of different class of hydrocarbons such as saturated and unsaturated hydrocarbons which conformed to what had earlier been reported by other researchers.
文摘Coptis chinensis Franch, a widely used Traditional Chinese Medicine, shows various kinds of bioactivity. The major active components of the herb are considered to be alkaloids. Thus, preparative separation of these alkaloids is critical important for further pharmacology and mechanism studies. In the paper, five alkaloids from C. chinensis were purified by HSCCC using the solvent system composed of chloro-form-metha- nol-water (2:1:1, v/v/v) single prepared. The content of each solvent in solvent system were determined by gas chromatography (GC), then according the ratios of solvents in each phase to prepare the mobile and stationary phase respectively. And a comparative study was carried out between together preparation and single preparation of the solvent system. The purities and recoveries of all the products were over 98.5% and 92%. However, 134 mL chloroform, 336 mL methanol and 452 mL water were saved when the two phase were singled by GC. Our research showed an economical method for separating alkaloids from C. chinensis by HSCCC using the solvent system single prepared by GC.
文摘Prosopis farcta, a plant belongs to the mimosoideae, is characterized by a very wide spectrum of various bioactive and medical constituents. Vitexin, the marker flavonoid found in Prosopis, has potent and broad antitumour efficacy in preclinical models. Many studies had been done for the isolation of flavonoids (vitexin) by completely different chromatographically methodology. During this study, vitexin was isolated from Prosopis farcta by 6 different extraction methods in which parameters as the type, concentration and pH of the extracting solvents considered. Among different solvent systems used, methanol-water (40%, containing acetic acid 0.5%) was found to be the best solvent generating the highest yield (0.554 mg·g-1 DW) from Prosopis leaves. The present work suggests an efficient method for estimation the greatest content of vitexin analyzed by HPLC technique and introduces Prosopis farcta as a suitable source of this flavonoid with several pharmacological properties.
文摘Current industrial methods for dissolution of cellulose in making regenerated cellulose products are relatively expensive,toxic and dangerous and have environmental problems coming with the hazard chemical wastes.To solve these problems,a novel ethylenediamine and potassium thiocyanate(ED/KSCN)solvent system was developed,that is economical,ecofriendly,and highly efficient.The ED/KSCN solvent system was proven to be a suitable solvent for fabricating cellulose(blended with other polymers)membranes.In this study,gluten was used to develop nonporous membranes with cellulose.The method of casting these membranes provided better ones than the former researchers’techniques.These composite membranes’physical and mechanical properties were studied by analysis of morphology,viscosity,crystallinity,thermal behaviors,tensile properties and water absorption of membranes.Results showed that membranes are nonporous,uniform,strong,flexible,ecofriendly and renewable.Mechanical and physical properties were influenced by the ratio of cellulose/gluten.By blending 40% gluten,the tensile strength of cellulose membrane dropped to 15.89 MPa from 35.11 MPa.However,its elongation at break increased from 35.3% to 57.02% accordingly.
文摘This research on the solvent effects of 2 methyl 4,5 dimethoxy 3 oxo 2H pyridizine (MDOP) in binary solvent systems on the infrared spectra for MDOP in n hexane/CHCl 3 mixture solvents showed that there were three forms of carbonyl stretching vibration band [ υ (C=O)] of MPOP as the mole fraction of CHCl 3 in the binary solvents changes. In pure n hexane solvent, the υ (C=O) of MDOP appeared at a relatively high wavenumber. With CHCl 3 added, the υ (C=O) shifted to lower wavenumbers. Two new bands were observed over a certain range of mixture solvent compositions. The origin of the bands was discussed in the terms of two kinds of hydrogen bond together with their individual dependence on mixture composition. Comparisons were drawn for the solvent sensitivities of υ (C=O) for propanone.
基金supported by a startup fund from the Chinese Institute for Brain Research,National Natural Science Foundation of China(82101059)research funding from West China School/Hospital of Stomatology Sichuan University(RCDWJS2022-11).
文摘Combining transparent embedding with sectioning is likely to be the future direction for tissue clearing and 3-dimensional(3D)imaging.A newly published transparent embedding system,TESOS(Transparent Embedding Solvent System),ensures consistent submicron resolution imaging throughout the entire sample,and can be compatible with different microscopy systems.This method shows great potential in connectome mapping,and might be an optimal option for future 3D multiplex immunofluorescence and RNA in situ hybridization imaging.Additional efforts would be needed to innovate labeling,imaging,and data processing strategies to fully utilize the potential of transparent embedding systems in highresolution imaging of large-scale samples.
文摘Four distinct coordination polymers(CPs)were successfully synthesized by altering solvent types and adjusting ligand concentrations,and their crystal structures were investigated.[Co(L)(FDCA)(H_(2)O)_(2)]·0.5H_(2)O(1)was synthesized as a 2D structure using Coas the metal source,methanol‑water(4∶6,V/V)as the solvent,and specific concentrations of 2,5‑furandicarboxylic acid(H_(2)FDCA)and 1,3,5‑triimidazole benzene(L).Adjusting to pure water and lowering the concentration of L yielded the 1D chain structure of[Co(HL)2(H_(2)O)_(2)](FDCA)_(2)·6H_(2)O(2).Using Cu(Ⅱ)as the metal source,methanol/water(9∶1,V/V)as the solvent,and specific concentrations of L and H2FDCA,the 1D chain structure of[Cu(L)(FDCA)(H_(2)O)]·2H_(2)O(3)was synthesized.Upon increasing the concentrations of L and H2FDCA,and switching the solvent to pure water,the 1D chain structure of[Cu(HL)_(2)(H_(2)O)_(2)](FDCA)_(2)·6H_(2)O(4)was obtained.This shows that changing the solvent and ligand concentrations can affect the structural changes of CPs.In addition,the solid‑state photoluminescence of CPs 1‑4 at room temperature was studied,and their morphological changes were observed via scanning electron microscopy.Density functional theory calculations revealed that the negative charge concentrates on the O and N atoms of the ligand,facilitating ligand‑metal ion coordination.CCDC:2403934,1;2403935,2;2403936,3;2403938,4.
基金supported by the National Natural Science Foundation of China(22278407,22001147,21922814,22138012,22178349)CAS Project for Young Scientists in Basic Research(YSBR-038)+2 种基金the Ministry of Science and Technology of China(2021YFC2901500)Excellent Member in Youth Innovation Promotion Association,Chinese Academy of Sciences(Y202014)Shandong Energy Institute(SEI U202306).
文摘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.
基金support from the Australian Research Council’s Industrial Transformation Research Hub funding scheme(project IH190100009).
文摘This study details a comprehensive approach focusing on the effective separation of light rare earth elements(REEs)via solvent extraction technique.A stock solution containing lanthanum,cerium,neodymium,praseodymium,and samarium was prepared by dissolving their pure mixed oxide(reclaimed from spent Ni-MH batteries)in a diluted HCl solution.Key extractants,including bis(2,4,4-trimethylpentyl)phosphinic acid(Cyanex 272),Cyanex 572,trialkylphosphine oxide(Cyanex 923),and 2-ethylhexylphosphonic acid mono-2-ethylhexyl ester(PC 88A),along with tributyl phosphate(TBP)as a phase modifier,were utilized to form organic systems.The extraction behavior and separability of these systems at various pH levels as well as their extraction mechanisms were investigated.The results demonstrated a direct relationship between the extraction trend and the experimental pH value,with enhanced selectivity when TBP was added.Notably,Nd and Pr exhibited similar extraction behaviors,with minor deviations from Ce,making their separation difficult to achieve.Sm extraction followed a distinct trend,allowing for its separation from other elements at pH≤2.In contrast,La exhibited a low affinity for coordination with extractants when pH was≤3.5,facilitating the separation of other elements from La,which could then be isolated in the raffinate.Among the studied organic systems,combinations of Cyanex 572 and PC 88A with TBP demonstrated superior performance in element separation.Optimum separation factors were calculated withβ_(Ce/La)=12,βNd/La=87,β_(Pr/La)=127,andβ_(Sm/La)=3191 for the former,andβ_(Sm/Ce)=54,β_(Sm/Nd)=20,andβ_(Sm/Pr)=14 for the latter.These findings provide valuable insights for selecting extraction systems and designing experiments for the effective solvent extraction separation of light REEs from their mixture.
基金supported by the National Key R&D Program of China(No.2022YFB3803400)National Natural Science Foundation of China(Nos.52102054,52020105010,51927803,52188101 and 52072378)+1 种基金Liaoning Province Science and Technology Planning Project(No.2022-BS-007)Fujian Science and Technology Program(No.2023T3025).
文摘Commercial carbonate electrolytes suffer from ion transport difficulty in bulk electrolytes and interphase at low temperatures,bringing challenges to the application of lithium-ion batteries(LIBs)at low temperatures.Herein,the ester solvent of methyl propionate(MP)with low melting point and low viscosity was used to tackle ion transport difficulty in electrolytes.Fluorinated ester was further added to accelerate interfacial transport through intermolecular interactions.The influence of fluorinated esters with different fluorination degrees on the solvation structure of electrolytes and the performance of batteries was further studied.As a result,methyl pentafluoropropionate(M5F)with five fluorine atoms was selected for its optimal interactions with both Li+and MP solvent in the primary solvation structure,contributing to desired solvation structure for fast interfacial transport.The LiFePO_(4)(LFP)||graphite cell with LiFSI-MP-M5F electrolyte exhibited a high cyclability of 85.8%after 120 cycles and retained 81.2%of room-temperature capacity when charged and discharged at−30℃.1 Ah LFP||graphite pouch cell with high cathode loading(20 mg/cm^(2))in LiFSI-MP-M5F electrolyte exhibited 0.85 Ah capacity when charged and discharged at−20℃.This work provides a guidance for electrolyte design by synergistic fluorinated and non-fluorinated solvents for LIBs at low-temperature application.
基金supported by the National Research Foundation of Korea(NRF)grant funded by the Korea government(MSIT)(RS-2024-00455177)the National Research Foundation of Korea(NRF)grant funded by the Korea government(MSIT)(RS-2025-00518953)+2 种基金the National Research Council of Science&Technology(NST)grant by the Korea government(MSIT)(GTL24012-000)the support by the National Natural Science Foundation of China(T2322015)the support by The Ministry of Science and ICT in Korea via KBSI(C524100)。
文摘Rechargeable lithium–sulfur(Li–S)batteries are considered promising next-generation energy storage systems owing to their high theoretical energy density,but their application is hindered by the shuttle effect arising from dissolved lithium polysulfides(LiPSs).Herein,we design an optimized electrolyte to achieve long-term stability by employing an appropriate low-polarity solvent.A combination of diethyl ether(DEE)and 1,2-dimethoxyethane(DME)was selected to improve Li metal stability even in the presence of LiPSs.The DEE/DME electrolyte not only suppresses parasitic reactions between Li and LiPSs but also promotes uniform Li deposition.Moreover,operando optical microscopy was employed to directly visualize electrolyte stability and dendrite evolution in real time,while quantitative analysis was conducted via normalized hue index and contour image mapping.The enhanced anode stability of the DEE/DME electrolyte enabled excellent cycling performance,retaining 80.14%of its initial capacity after300 cycles at 3 C,while maintaining superior performance under practical conditions with high sulfur loading and a low E/S ratio.These findings highlight that solvent properties critically influence Li metal stabilization in Li–S batteries and underscore the significance of solvent engineering in electrolyte design.
