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Solid–liquid equilibrium and yield correlation model of melt crystallization of dimethylphenol isomer mixtures
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作者 Yuxi Zhang Li Yang +4 位作者 Yixin Ma Yan Zhang Junya Cao Jingcai Cheng Chao Yang 《Chinese Journal of Chemical Engineering》 2026年第1期112-122,共11页
Dimethylphenols serve as important intermediates in synthesizing pharmaceuticals and agrochemicals,yet traditional distillation struggles to separate their isomers due to minimal boiling point differences,and the deve... Dimethylphenols serve as important intermediates in synthesizing pharmaceuticals and agrochemicals,yet traditional distillation struggles to separate their isomers due to minimal boiling point differences,and the development of melt crystallization is hampered by lacking solid–liquid equilibrium (SLE) data for some isomers.Therefore,the SLE data of both binary and ternary mixtures of 2,3-dimethylphenol (2,3-DMP),3,5-dimethylphenol (3,5-DMP),and 3,4-dimethylphenol (3,4-DMP) were determined by using differential scanning calorimetry in this work.Additionally,crystallographic analysis was conducted to investigate the thermodynamic characteristics of these mixtures.The experimental results indicated that all the systems investigated in this research exhibited eutectic behavior.The experimentally obtained SLE data were well correlated with the Wilson and non-random two-liquid models.The excess thermodynamic functions were calculated to analyze the types and intensities of the molecular interactions occurring in the mixtures.Furthermore,this study developed a model for the correlation between the theoretical crystallization yield and the actual cooling yield and final yield in melt crystallization.This study has furnished reliable data essential for developing and optimizing the melt crystallization process of mixtures of 2,3-DMP,3,5-DMP,and 3,4-DMP. 展开更多
关键词 Melt crystallization YIELD Dimethylphenols solidliquid equilibrium Thermodynamics models
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Reaction kinetics of CO_(2)capture into AMP/PZ/DME solid-liquid biphasic solvent 被引量:1
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作者 Xiaoyun Chen Guohua Jing +1 位作者 Bihong Lv Zuoming Zhou 《Journal of Environmental Sciences》 2025年第4期622-631,共10页
The non-aqueous solid-liquid biphasic solvent of 2-amino-2-methyl-1-propanol(AMP)/piperazine(PZ)/dipropylene glycol dimethyl ether(DME)features a high CO_(2)absorption loading,favorable phase separation behavior and h... The non-aqueous solid-liquid biphasic solvent of 2-amino-2-methyl-1-propanol(AMP)/piperazine(PZ)/dipropylene glycol dimethyl ether(DME)features a high CO_(2)absorption loading,favorable phase separation behavior and high regeneration efficiency.Different with the liquid-liquid phase change solvent,the reaction kinetics of CO_(2)capture into solid-liquid biphasic solvent was rarely studied.In the present work,the reaction kinetics of CO_(2)absorption into AMP/PZ/DME solid-liquid biphasic solvent was investigated into the double stirred kettle reactor.The absorption reaction followed a pseudo-first-order kinetic model according to the zwitterion mechanism.The overall reaction rate constant(kov)and the enhancement factor(E)of CO_(2)absorption both increased with increasing temperature.The total mass transfer resistance of the absorbent decreased with increasing temperature and increased with increasing absorption loading,so the higher reaction temperature was conducive to the absorption,and the liquid phase mass transfer resistance was the main factor affecting the absorption rate. 展开更多
关键词 CO^(2)capture solidliquid phase−change Reaction kinetics Heat duty
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Adsorption-modulated dynamical stability of nanobubbles at the solid–liquid interface
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作者 Guiyuan Huang Lili Lan +2 位作者 Binghai Wen Li Yang Yong Yang 《Chinese Physics B》 2025年第6期401-408,共8页
We study the effects of gas adsorption on the dynamics and stability of nanobubbles at the solid–liquid interface. The phase diagram and dynamic evolution of surface nanobubbles were analyzed under varying equilibriu... We study the effects of gas adsorption on the dynamics and stability of nanobubbles at the solid–liquid interface. The phase diagram and dynamic evolution of surface nanobubbles were analyzed under varying equilibrium adsorption constant.Four distinct dynamic behaviors appear in the phase diagram: shrinking to dissolution, expanding to bursting, shrinking to stability, and expanding to stability. Special boundary states are identified in phase diagram, where the continuous growth of nanobubbles can take place even under very weak gas–surface interaction or with very small initial bubble size. Surface adsorption plays a critical role in the stability, lifetime, radius, and contact angle of nanobubbles, thereby demonstrating that pinning is not a prerequisite for stabilization. Furthermore, stable equilibrium nanobubbles exhibit a characteristic range of footprint radius, a limited height, and a small contact angle, consistent with experimental observations. 展开更多
关键词 NANOBUBBLES solidliquid interface phase diagram gas adsorption
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Polymerized-ionic-liquid-based solid polymer electrolyte for ultra-stable lithium metal batteries enabled by structural design of monomer and crosslinked 3D network
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作者 Lingwang Liu Jiangyan Xue +14 位作者 Yiwen Gao Shiqi Zhang Haiyang Zhang Keyang Peng Xin Zhang Suwan Lu Shixiao Weng Haifeng Tu Yang Liu Zhicheng Wang Fengrui Zhang Daosong Fu Jingjing Xu Qun Luo Xiaodong Wu 《Materials Reports(Energy)》 2025年第1期61-69,共9页
Solid polymer electrolytes(SPEs)have attracted much attention for their safety,ease of packaging,costeffectiveness,excellent flexibility and stability.Poly-dioxolane(PDOL)is one of the most promising matrix materials ... Solid polymer electrolytes(SPEs)have attracted much attention for their safety,ease of packaging,costeffectiveness,excellent flexibility and stability.Poly-dioxolane(PDOL)is one of the most promising matrix materials of SPEs due to its remarkable compatibility with lithium metal anodes(LMAs)and suitability for in-situ polymerization.However,poor thermal stability,insufficient ionic conductivity and narrow electrochemical stability window(ESW)hinder its further application in lithium metal batteries(LMBs).To ameliorate these problems,we have successfully synthesized a polymerized-ionic-liquid(PIL)monomer named DIMTFSI by modifying DOL with imidazolium cation coupled with TFSI^(-)anion,which simultaneously inherits the lipophilicity of DOL,high ionic conductivity of imidazole,and excellent stability of PILs.Then the tridentate crosslinker trimethylolpropane tris[3-(2-methyl-1-aziridine)propionate](TTMAP)was introduced to regulate the excessive Li^(+)-O coordination and prepare a flame-retardant SPE(DT-SPE)with prominent thermal stability,wide ESW,high ionic conductivity and abundant Lit transference numbers(t_(Li+)).As a result,the LiFePO_(4)|DT-SPE|Li cell exhibits a high initial discharge specific capacity of 149.60 mAh g^(-1)at 0.2C and 30℃with a capacity retention rate of 98.68%after 500 cycles.This work provides new insights into the structural design of PIL-based electrolytes for long-cycling LMBs with high safety and stability. 展开更多
关键词 Polymerized ionic liquid solid polymer electrolyte Structural design Crosslinked 3D network Lithium metal battery
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Effect of magnetic field intensity on the liquid state-dependent solidification of a Co-B hypereutectic alloy:Experiments and modeling
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作者 Fan Bu Yaojun Zhang +3 位作者 Jiahao Ma Yaoqing Zhang Jun Wang Yixuan He 《Journal of Materials Science & Technology》 2025年第33期104-114,共11页
A systematic understanding of the effect of magnetic field intensity on the liquid state-dependent solidi-fication of a Co-B hypereutectic alloy was carried out.The application of a magnetic field promotes nucleation,... A systematic understanding of the effect of magnetic field intensity on the liquid state-dependent solidi-fication of a Co-B hypereutectic alloy was carried out.The application of a magnetic field promotes nucleation,as evidenced by the reduction in undercooling,and the extent of the reduction is proportional to the intensity of the magnetic field.Nevertheless,for different liquid states,the magnetic field has dissimilar impacts on facilitating nucleation,manifested in the low-temperature liquid is more affected by the magnetic field,and the enhancing effect is more significant.A pre-nucleation model,modified from classical nucleation theory to include clusters as nucleation precursors,has been developed to describe the phenomena of liquid state-dependent nucleation.The model adeptly elucidates how the magnetic field intensity influences the nucleation of diverse melt structures differently,which is primarily attributed to the varying contact angles resulting from differences in surface tension as the magnetic field interacts with distinct melt structures.The present work might be helpful for not only theoretically understanding the effect of magnetic field intensity on the liquid state-dependent solidification but also providing an alternative strategy and criterion to tailor the microstructure and properties via magnetic field. 展开更多
关键词 liquid state NUCLEATION Magnetic field Contact angle
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Solid−liquid phase diagram of the KNO_(3)-Ca(NO_(3))_(2)-Mg(NO_(3))_(2)-H_(2)O system at 313.15 K
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作者 Xiangxia Zeng Tao Zhang +3 位作者 Li Lv Wenxiang Tang Zongpeng Zou Shengwei Tang 《Chinese Journal of Chemical Engineering》 2025年第2期93-107,共15页
The enrichment of low-grade phosphate rock is an important process to realize sustainable support of phosphorus resources. An aqueous solution containing Ca(NO_(3))_(2) and Mg(NO_(3))_(2) is produced during the enrich... The enrichment of low-grade phosphate rock is an important process to realize sustainable support of phosphorus resources. An aqueous solution containing Ca(NO_(3))_(2) and Mg(NO_(3))_(2) is produced during the enrichment of low-grade phosphate rock by leaching of HNO_(3) or calcination coupling with leaching of NH_(4)NO_(3) solution. Preparation liquid fertilizer is a preferential way to utilize it. The liquid−solid phase diagrams of Ca(NO_(3))_(2)-Mg(NO_(3))_(2)-H_(2)O, KNO_(3)-Mg(NO_(3))_(2)-H_(2)O, KNO_(3)-Ca(NO_(3))_(2)-H_(2)O and KNO_(3)-Ca(NO_(3))_(2)-Mg(NO_(3))_(2)-H_(2)O systems at 313.15 K were studied by isothermal dissolution equilibrium method. Two crystallization regions of Ca(NO_(3))_(2)·4H_(2)O and Mg(NO_(3))_(2)·6H_(2)O were observed in the phase diagram of the ternary system Ca(NO_(3))_(2)-Mg(NO_(3))_(2)-H_(2)O, a liquid fertilizer with a maximal total nutrient content of 27.46% and a nutrients ratio of N:Ca:Mg = 8.40:10.37:1 can be formed. A homogenous solution can be formed by mixing Ca(NO_(3))_(2)·4H_(2)O and Mg(NO_(3))_(2)·6H_(2)O. In the ternary system KNO_(3)-Mg(NO_(3))_(2)-H_(2)O, the crystallization regions of KNO_(3), Mg(NO_(3))_(2)·6H_(2)O and the co-crystallization region of KNO_(3) and Mg(NO_(3))_(2)·6H_(2)O were observed. The obtained maximal total nutrient content of liquid fertilizer is 23.32% with the ratio of N:K_(2)O = 1:3.39. In the ternary system KNO_(3)-Ca(NO_(3))_(2)-H_(2)O, the crystallization regions of Ca(NO_(3))_(2)·4H_(2)O and KNO_(3) were observed. The obtained maximal total nutrient content of liquid fertilizer is 38.41% with the ratio of N:K_(2)O:Ca = 1.05:1.18:1. A homogenous solution can also be formed by mixing Ca(NO_(3))_(2)·4H_(2)O and KNO_(3) directly. In the quaternary system KNO_(3)-Ca(NO_(3))_(2)-Mg(NO_(3))_(2)-H_(2)O, the crystallization regions of Ca(NO_(3))_(2)·4H_(2)O, Mg(NO_(3))_(2)·6H_(2)O and KNO_(3) and the co-crystallization region of KNO_(3) and Mg(NO_(3))_(2)·6H_(2)O were observed. The obtained maximal total nutrient content of liquid fertilizer is 38.41% with the ratio of N:K_(2)O:Ca = 1.05:1.18:1. The modified BET model was successfully used to fit the solubility curves. The results can provide a guidance for the formulation of water-soluble fertilizers of N-(K, Ca, Mg). 展开更多
关键词 Calcium nitrate Magnesium nitrate liquid water-soluble fertilizer Phase equilibria BET model
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Effective thermo-mechanical properties of compliant solids with small compressible liquid inclusions
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作者 Xuechao Sun Fei Ti +2 位作者 Feng Chen Shaobao Liu Tianjian Lu 《Acta Mechanica Sinica》 2025年第11期193-206,共14页
While liquid-filled porous materials widely exist in both natural and engineering fields,their overall thermo-mechanical behaviors are influenced by the combined effects of solid skeleton,pore-filling liquid,and pore ... While liquid-filled porous materials widely exist in both natural and engineering fields,their overall thermo-mechanical behaviors are influenced by the combined effects of solid skeleton,pore-filling liquid,and pore structure.When the pores are sufficiently small(e.g.,micro/nano-scale pores),surface effects also play a significant role.Accounting for surface effects and liquid compressibility,we develop a theoretical model to predict the effective thermo-mechanical properties of liquid-filled porous materials.Idealized spherical compressible liquid inclusions distributed randomly in an elastic solid matrix are con-sidered,with two scenarios separately considered.In the first scenario,the liquid inclusions are isolated so that the liquid does not flow freely.The effective coefficient of thermal expansion(CTE)and effective bulk modulus of the two-phase material are obtained via the generalized self-consistent method.In the second scenario,the liquid inclusions are connected by micro-channels.We adopt a top-down approach(the mixture theory)to establish general thermo-mechanical constitutive relations for liquid-filled porous materials with surface effects,and then use a bottom-up(micromechanics)approach to determine the coupling coefficients(effective thermo-mechanical parameters)in these constitutive relations.Results show that the presence of surface stress at the solid-liquid interface increases the effective CTE and decreases the effective bulk modulus,especially when liquid compressibility is relatively large;however,the decrease in surface stress caused by increasing temperature weakens such effect.This research not only reveals the mechanism of thermo-mechanical coupling in liquid-filled porous materials having small pores but also provides a theoretical basis for accurate prediction of their thermo-mechanical responses in complex load environments. 展开更多
关键词 Porous material liquid inclusion Surface effect Effective thermal expansion Effective bulk modulus
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Aqueous Ionic Liquid Mediated Hydrolysis of Native Corn Starch to Obtain Different Low Molecular Weight Starch
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作者 YANG Rui WANG Xiaolin +1 位作者 DANG Qian LIU Zhengping 《高等学校化学学报》 北大核心 2026年第1期153-161,共9页
In this work,we proposed a strategy for the hydrolysis of native corn starch after the treatment of corn starch in an ionic liquid aqueous solution,and it is an awfully“green”and simple means to obtain starch with l... In this work,we proposed a strategy for the hydrolysis of native corn starch after the treatment of corn starch in an ionic liquid aqueous solution,and it is an awfully“green”and simple means to obtain starch with low molecular weight and amorphous state.X-ray diffraction results revealed that the natural starch crystalline region was largely disrupted by ionic liquid owing to the broken intermolecular and intramolecular hydrogen bonds.After hydrolysis,the morphology of starch changed from particles of native corn starch into little pieces,and their molecular weight could be effectively regulated during the hydrolysis process,and also the hydrolyzed starch samples exhibited decreased thermal stability with the extension of hydrolysis time.This work would counsel as a powerful tool for the development of native starch in realistic applications. 展开更多
关键词 Native corn starch Ionic liquid HYDROLYSIS Molecular weight
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Facile synthesis of Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)-Na_(2)Ni_(2)Ti_(6)O_(16)solid solutions for improving photocatalytic CO_(2)reduction
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作者 WANG Jingzhou YAO Chenzhong +2 位作者 ZHANG Xisheng MA Ziwei LI Linfeng 《燃料化学学报(中英文)》 北大核心 2026年第1期15-25,共11页
In this study,a straightforward one-step hydrothermal method was successfully utilized to synthesize the solid solution Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)-Na_(2)Ni_(2)Ti_(6)O_(16)(NNMTO-x),where x denotes the molar perce... In this study,a straightforward one-step hydrothermal method was successfully utilized to synthesize the solid solution Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)-Na_(2)Ni_(2)Ti_(6)O_(16)(NNMTO-x),where x denotes the molar percentage of Na_(2)Ni_(2)Ti_(6)O_(16)(NNTO)within Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)(NMTO),with x values of 10,20,30,40,and 50.Both XPS(X-ray Photoelectron Spectroscopy)and EDX(Energy Dispersive X-ray Spectroscopy)analyses unequivocally validated the formation of the NNMTO-x solid solutions.It was observed that when x is below 40,the NNMTO-x solid solution retains the structural characteristics of the original NMTO.However,beyond this threshold,significant alterations in crystal morphology were noted,accompanied by a noticeable decline in photocatalytic activity.Notably,the absorption edge of NNMTO-x(x<40)exhibited a shift towards the visible-light spectrum,thereby substantially broadening the absorption range.The findings highlight that NNMTO-30 possesses the most pronounced photocatalytic activity for the reduction of CO_(2).Specifically,after a 6 h irradiation period,the production rates of CO and CH_(4)were recorded at 42.38 and 1.47μmol/g,respectively.This investigation provides pivotal insights that are instrumental in the advancement of highly efficient and stable photocatalysts tailored for CO_(2)reduction processes. 展开更多
关键词 photocatalytic conversion hydrothermal method optical response range solid solution charge separation
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Ionic liquids screened by COSMO-RS for phase equilibrium separation of 2-methylfuran and methanol:Thermodynamic and mechanistic analysis
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作者 Yue Wang Wenxiu Li +2 位作者 Pengfei Wang Jiayi Liu Tao Zhang 《Chinese Journal of Chemical Engineering》 2026年第1期59-69,共11页
Separation of 2-methylfuran(2-MF)and methanol(MeOH)azeotropes is a key challenge in biofuel production because of the efficiency and sustainability issues of conventional methods.In this study,ionic liquids(ILs)were i... Separation of 2-methylfuran(2-MF)and methanol(MeOH)azeotropes is a key challenge in biofuel production because of the efficiency and sustainability issues of conventional methods.In this study,ionic liquids(ILs)were introduced as green solvents for separation of 2-MF/MeOH through liquid–liquid equilibrium(LLE)experiment.Three ILs,namely 1-ethyl-3-methylimidazole dihydrogen phosphate([EMIM][H_(2)PO_(4)]),1-propyl-3-methylimidazole dihydrogen phosphate([PMIM][H_(2)PO_(4)])and 1-butyl-3-methylimidazole dihydrogen phosphate([BMIM][H_(2)PO_(4)]),were screened out from 425 candidates using the conductor-like screening model for real solvents(COSMO-RS).Then,the ternary LLE data of 2-MF(1)+MeOH(2)+ILs(3)were determined at 30℃ and 101.32 kPa.Results confirmed[EMIM][H_(2)PO_(4)]as the best performer,achieving a selectivity of 343.86 and a distribution coefficient of 36.66 for MeOH—significantly higher than[PMIM][H_(2)PO_(4)]and[BMIM][H_(2)PO_(4)].The accuracy of the LLE data was verified by Othmer–Tobias and Hand equations(R^(2)>0.90).The non-random two liquid model was used to correlate the experimental data(RMSD<2%).Besides,the combination of electrostatic surfaces potential,independent gradient model based on Hirshfeld partition,mean square displacement and radial distribution functions revealed strong electrostatic interactions between[H_(2)PO_(4)]^(–) and MeOH.Interaction energy analysis further emphasizes the mechanism of MeOH separation from a mixture of 2-MF and MeOH by ILs.This work provides a multiscale strategy for the separation of 2-MF and MeOH azeotropes,highlighting the potential of ILs to improve biofuel purification while reducing energy and environmental costs. 展开更多
关键词 Ionic liquid liquidliquid equilibrium COSMO-RS Analytical mechanism Molecular dynamic simulations
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Liquid–liquid two-phase flow and droplet formation in a T-junction microchannel
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作者 Nerisha Tuladhar Muhammad Rafay Shahzad +2 位作者 Zien Huang Sandeep Dhital Taotao Fu 《Chinese Journal of Chemical Engineering》 2026年第1期25-35,共11页
This study investigates the droplet formation for the liquid–liquid two-phase flow within a square T-junction microchannel through numerical simulation using volume of fluid method and experimental visualization usin... This study investigates the droplet formation for the liquid–liquid two-phase flow within a square T-junction microchannel through numerical simulation using volume of fluid method and experimental visualization using high-speed camera imaging.The T-junction microchannel has a cross-sectional width of 0.6 mm and a total length of 27.3 mm.The solution of cyclohexane with 2%and 3%mass concentrations of sorbitan trioleate surfactant were used as the continuous phase,and water was used as the dispersed phase.Slug flow,characteristic of squeezing regime,were predominantly observed.The effects of liquid–liquid two-phase flow rate ratio,and dimensionless number on droplet size,and pressure drop were investigated.The squeezing regime was mapped for 0.0005≤Ca_(c)≤0.0052(capillary number)and 0.1≤q≤10(flow rate ratio).The pressure drops of slugs were in the range from 40 Pa to 200 Pa.The slug lengths were measured between 1 mm and 9 mm.A universal flow map dependent on Ca_(c)Re_(d)^(0.5) are projected to investigate the droplet formation behavior in T-junction microchannel.Correlation expressions are proposed to predict pressure drops and the slug lengths for liquid–liquid two-phase flow in a square T-junction microchannel,using dimensionless numbers such as flow rate ratio and capillary number.The result shows that large continuous phase flow rates facilitate smaller slugs,whereas higher dispersed phase flow rates result in longer shorts. 展开更多
关键词 Droplet formation Interfacial phenomena liquidliquid two-phase flow T-junction microchannel
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Ionic Liquid-regenerated Cellulose Fiber:A Promising Next Generation Regenerated Cellulose Fiber
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作者 Xin-Yu Wang Kun-Kun Zhu +5 位作者 Min Zhang Yong-Xin Wei Jing-Jing Yuan Jin-Ming Zhang Jin-Feng Wang Jun Zhang 《Chinese Journal of Polymer Science》 2026年第1期21-29,I0008,共10页
As the global textile industry has accelerated its transition to a circular economy,iterative innovation in regenerated cellulose fibers has become a key industry focus.With viscose fiber having been industrialized fo... As the global textile industry has accelerated its transition to a circular economy,iterative innovation in regenerated cellulose fibers has become a key industry focus.With viscose fiber having been industrialized for over a century and lyocell fiber gaining market recognition because of its environmentally friendly process,which is the next regenerated cellulose fiber.Herein,ionic liquids with low vapor pressure,nonflammability,relatively simple recovery,and high dissolution efficiency were used to fabricate regenerated cellulose fibers.The viscose and lyocell properties of the fibers were systematically compared,including microscopic morphology,dyeing behavior,fibrillation resistance,mechanical properties,yarn-forming capacity,and fabric performance.The ionic liquid(IL)fiber exhibited a smooth surface and circular cross-section,with the highest tensile strength,moderate dyeing and fibrillation properties,and similar spinning and weaving performance.This work can provide a reference for the commercial application of regenerated cellulose fibers fabricated from ionic liquid. 展开更多
关键词 CELLULOSE Ionic liquid FIBER VISCOSE LYOCELL
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Computational screening for novel solid-state electrolytes in Li_(3)MX_(6) composition
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作者 Olgert L.Dallakyan Alexey P.Maltsev +8 位作者 Ilya V.Chepkasov Misha A.Aghamalyan Areg A.Hunanyan Nane Z.Petrosyan Mikayel S.Chobanyan Mikayel T.Sahakyan Luiza G.Khachatryan Artem R.Oganov Hayk A.Zakaryan 《Journal of Energy Chemistry》 2026年第1期495-504,I0011,共11页
Halide solid-state electrolytes have gained significant attention in recent years due to their high ionic conductivity,making them promising candidates for future all-solid-state batteries.Recent studies have identifi... Halide solid-state electrolytes have gained significant attention in recent years due to their high ionic conductivity,making them promising candidates for future all-solid-state batteries.Recent studies have identified numerous crystal structures with the Li_(3)MX_(6)composition,although many remain unexplored across various chemical systems.In this research,we developed a comprehensive method to examine all conceivable space groups and structures within theLi-M-X system,where M includes In,Ga,and La,and X includes F,Cl,Br,and 1.Our findings revealed two metastable structures:Li_(3)InF_(6)with P3c1 symmetry and Li_(3)InI_(6)with C2/c symmetry,exhibiting ionic conductivities of 0.55 and 2.18mS/cm at 300K,respectively.Notably,the trigonal symmetry of Li3InF6 demonstrates that high ionic conductivities are not limited to monoclinic structures but can also be achieved with trigonal symmetries.The electrochemical stability windows,mechanical properties,and reaction energies of these materials with known cathodes suggest their potential for use in all-solid-state batteries.Additionally,we predicted the stability of novel materials,including Li_(5)InCl_(8),Li_(5)InBr_(8),Li_(5)InI_(8),LiIn_(2)Cl_(9),LiIn_(2)Br_(9),and LiIn_(2)I_(9). 展开更多
关键词 solid state electrolyte HALIDES Novel materials DFT
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First-principles insights into NaMgPO_(3)S oxysulfide solid electrolyte
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作者 Jian Sun Shaohui Ding +2 位作者 Daquan Yang Kan Zhang Huican Mao 《Chinese Physics B》 2026年第2期548-554,共7页
The development of high-performance solid electrolytes is pivotal for advancing solid-state battery technologies.In this work,we design an oxysulfide-based solid electrolyte Na MgPO_(3)S by combining bond valence theo... The development of high-performance solid electrolytes is pivotal for advancing solid-state battery technologies.In this work,we design an oxysulfide-based solid electrolyte Na MgPO_(3)S by combining bond valence theory and density functional theory calculations.The material features a wide band gap of 4.0 eV and a considerable reduced Na^(+)migration barrier of 0.44 eV,a 1.26-eV decrease compared to pristine Na MgPO_(4)(~1.70 eV).Ab initio molecular dynamics simulations further reveal significantly enhanced ionic conductivity in the oxysulfide-based system compared to the pristine oxide structure.In addition,the calculated decomposition energy indicates that the modified material exhibits good moisture stability.Our findings suggest that sulfur-doping strategy can simultaneously achieve improved ionic conductivity and high moisture stability in oxide solid electrolytes,which could pave the way for designing high-performance solid electrolytes. 展开更多
关键词 solid electrolytes first-principles calculations element doping
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Application of Cyclodextrin Supramolecular Gel Electrolyte Based on Ionic Liquids in Zinc Ion Batteries
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作者 LUO Yushu TENG Zixuan +4 位作者 SU Sicheng MIAO Wenli ZHANG Chaocan WU Lili CHEN Wanyu 《Journal of Wuhan University of Technology(Materials Science)》 2026年第2期304-314,共11页
The preparation of ionic liquid gel electrolyte can reduce the occurrence of side effects and extend battery life.In the DMSO-ILZE electrolyte composed of DMSO,1-ethyl-3-methylimidazole tetrafluoroborate(EMIMBF_(4))an... The preparation of ionic liquid gel electrolyte can reduce the occurrence of side effects and extend battery life.In the DMSO-ILZE electrolyte composed of DMSO,1-ethyl-3-methylimidazole tetrafluoroborate(EMIMBF_(4))and Zn(BF_(4))_(2),the supramolecular gelatorβ-cyclodextrin(β-CD)was added,and then a gel electrolyte(CD-ILZE)for zinc-ion batteries was prepared through host-vip interaction betweenβ-CD and DMSO-ILZE electrolyte.The gel electrolyte has good conductivity between-30 and 80℃,which is found by fitting the Arrhenius equation that the gel electrolyte satisfies the liquid law within this temperature range.In addition,the supramolecular gel electrolyte can effectively decrease hydrogen evolution corrosion and the formation of zinc dendrites.Compared with the battery prepared by DMSO-ILZE electrolyte(about 1100 h),the prepared Zn||Zn battery exhibits a more stable cycle(over 2800 h)at a current density of 0.5 m A·cm^(-2).At 0.1 A·g^(-1),the prepared Zn||V_(2)O_(5)gel electrolyte cell has a capacity of 30 m Ah·g^(-1)and a capacity retention rate of 85.17%after more than 1500 cycles.The CD-ILZE supramolecular gel electrolyte can inhibit the formation of hydrogen evolution corrosion and zinc dendrites,and improve the cycling performance of the battery. 展开更多
关键词 supramolecular gel zinc-ion battery ionic liquid CYCLODEXTRIN
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Liquid metal embrittlement during FAST joining of magnesium and galvanized steel
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作者 Tianhao Wang Piyush Upadhyay +2 位作者 Hrishikesh Das Fu-Yun Tsai Bharat Gwalani 《Journal of Magnesium and Alloys》 2026年第1期182-189,共8页
Joining magnesium(Mg)alloys to steel is difficult due to metallurgical incompatibility.Applying a zinc(Zn)coating to steel enables formation of a thin Mg-Zn eutectic phase layer during welding,which promotes strong bo... Joining magnesium(Mg)alloys to steel is difficult due to metallurgical incompatibility.Applying a zinc(Zn)coating to steel enables formation of a thin Mg-Zn eutectic phase layer during welding,which promotes strong bonding.However,in joints created with Friction-stir assisted scribe technology(FAST),this Mg-Zn eutectic phase layer occasionally extends from the interface to the surface of the Mg sheet.This phenomenon is attributed to the formation of a liquid-state Mg-Zn eutectic phase,coupled with the distinctive material flow induced by the FAST tool.Microstructural analysis confirmed that the Mg-Zn eutectic phase comprisesα-Mg and the Mg_(21)Zn_(25)intermetallic compound.Lap shear tensile tests revealed that when the Mg-Zn eutectic phase migration pathway aligned with the stir zone boundary,it led to reduced joint strength and premature fracture along the eutectic phase pathway.This indicates that liquid metal embrittlement(LME)occurred during FAST joining of Mg alloy and galvanized steel.These findings highlight the critical importance of controlling tool features and process parameters in FAST welding to prevent LME-related failures in dissimilar Mg/steel assemblies. 展开更多
关键词 liquid metal embrittlement Friction stir welding Dissimilar welding MAGNESIUM Galvanized
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当Team Liquid和Cloud9宣布参加KeSPA杯
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作者 杨直 《电子竞技》 2026年第2期41-43,共3页
蝴蝶还在扇动翅膀。去年11月19日,韩国电子竞技职业协会KeSPA在社交媒体X上宣布了2025年KeSPA杯的详细举办信息。当天,Cloud9总经理David Han转发了这条消息,他提到除了Cloud9,Team Liquid也将参赛,并解释了参赛原因:“在北美赛区的休假... 蝴蝶还在扇动翅膀。去年11月19日,韩国电子竞技职业协会KeSPA在社交媒体X上宣布了2025年KeSPA杯的详细举办信息。当天,Cloud9总经理David Han转发了这条消息,他提到除了Cloud9,Team Liquid也将参赛,并解释了参赛原因:“在北美赛区的休假期,Cloud9希望通过参加更多赛事带给粉丝更多精彩的内容。” 展开更多
关键词 Team liquid Cloud9 KeSPA杯 电子竞技
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Solid dispersion of BIBR1532:A potent therapeutic for oesophageal squamous cancer
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作者 Xue-Juan Zhang Nai-Xuan Deng +4 位作者 Huan-Qing Zhang Jie-Zuan Cen Zi-Xuan Zheng Meng-Qin Guo Zheng-Wei Huang 《World Journal of Gastrointestinal Oncology》 2026年第1期291-295,共5页
This letter addresses challenges in the clinical translation of BIBR1532,a promising telomerase inhibitor,for the treatment of esophageal squamous cell carcinoma(ESCC).BIBR1532 exerts its anti-cancer effect by activat... This letter addresses challenges in the clinical translation of BIBR1532,a promising telomerase inhibitor,for the treatment of esophageal squamous cell carcinoma(ESCC).BIBR1532 exerts its anti-cancer effect by activating DNA damage response(ATR/CHK1 and ATM/CHK2)pathways and downregulating telomere-binding proteins.Although its therapeutic potential is limited by poor aqueous solubility,solid dispersion(SD)technology may overcome this obstacle.Systematic analysis using PubChem-derived simplified molecular input line entry system identifiers and artificial intelligence-driven FormulationDT platform evaluation(oral formulation feasibility index:0.38)revealed that the SD technology,with superior scalability(32 approved products by 2021)and lower production risks,outperforms lipid-based formulations as an optimal dissolution strategy.Material analysis revealed hydroxypropyl methylcellulose(HPMC)as the optimal carrier with lower hygroscopicity,higher temperature and no intestinal targeting,thus enabling ESCC therapy.HPMC-based SD enhances BIBR1532 solubility and bioavailability for effective ESCC treatment.Future studies should focus on pilot tests for SD fabrication. 展开更多
关键词 BIBR1532 SOLUBILITY solid dispersion Oesophageal squamous cancer Hydroxypropyl methylcellulose Druggability
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Advancing pediatric cancer diagnosis: the promise of single-cell liquid biopsy for early detection and surveillance
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作者 Pavithra Ayyadurai Chinnasamy Ragavendran 《Biomedical Engineering Communications》 2026年第1期13-25,共13页
Pediatric cancers are particularly significant due to their uncommon occurrence in children,driven by a variety of underlying factors.Because of their distinct molecular and genetic makeup,which makes early detection ... Pediatric cancers are particularly significant due to their uncommon occurrence in children,driven by a variety of underlying factors.Because of their distinct molecular and genetic makeup,which makes early detection challenging,they are linked to problems.Diagnostic methods like imaging and tissue biopsy are only effective when the tumor has reached a size that can be identified.The liquid biopsy technique,the least intrusive and most convenient diagnostic method,is the subject of this review.It focuses on the significance of single cell analysis in examining uncommon cancer types.The many biomarkers found in bodily fluids and the cancer types they are linked to in children have been assessed,as has the potential route towards early detection and cancer recurrence forecasting.Combining the single cell liquid biopsy with the newest technologies,such as computational and multi-omics approaches,which have improved the efficiency of processing massive and unique genetic data,appears promising.This article discusses on a number of case reports for uncommon pediatric malignancies,such as Neuroblastoma,Medulloblastoma,Wilms Tumor,Rhabdomyosarcoma,Ewing Sarcoma,and Retinoblastoma,as well as their liquid biopsy profiles.Furthermore,the findings raise ethical questions regarding the therapeutic application of the technology as well as possible difficulties related to clinical translation.The likelihood that this single cell liquid biopsy will be clinically validated and eventually used as a routine diagnostic tool for uncommon pediatric cancers will rise with the realistic approach to sensitivity monitoring,specificity upgrading,and optimization. 展开更多
关键词 pediatric cancer single cell liquid biopsy biomarkers NEUROBLASTOMA MEDULLOBLASTOMA wilms tumor
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Nature-Inspired Upward Hanging Evaporator with Photothermal 3D Spacer Fabric for Zero-Liquid-Discharge Desalination
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作者 Ye Peng Yang Shao +3 位作者 Longqing Zheng Haoxuan Li Meifang Zhu Zhigang Chen 《Nano-Micro Letters》 2026年第1期545-561,共17页
While desalination is a key solution for global freshwater scarcity,its implementation faces environmental challenges due to concentrated brine byproducts mainly disposed of via coastal discharge systems.Solar interfa... While desalination is a key solution for global freshwater scarcity,its implementation faces environmental challenges due to concentrated brine byproducts mainly disposed of via coastal discharge systems.Solar interfacial evaporation offers sustainable management potential,yet inevitable salt nucleation at evaporation interfaces degrades photothermal conversion and operational stability via light scattering and pathway blockage.Inspired by the mangrove leaf,we propose a photothermal 3D polydopamine and polypyrrole polymerized spacer fabric(PPSF)-based upward hanging model evaporation configuration with a reverse water feeding mechanism.This design enables zero-liquiddischarge(ZLD)desalination through phase-separation crystallization.The interconnected porous architecture and the rough surface of the PPSF enable superior water transport,achieving excellent solar-absorbing efficiency of 97.8%.By adjusting the tilt angle(θ),the evaporator separates the evaporation and salt crystallization zones via controlled capillary-driven brine transport,minimizing heat dissipation from brine discharge.At an optimal tilt angle of 52°,the evaporator reaches an evaporation rate of 2.81 kg m^(−2) h^(−1) with minimal heat loss(0.366 W)under 1-sun illumination while treating a 7 wt%waste brine solution.Furthermore,it sustains an evaporation rate of 2.71 kg m^(−2) h^(−1) over 72 h while ensuring efficient salt recovery.These results highlight a scalable,energy-efficient approach for sustainable ZLD desalination. 展开更多
关键词 DESALINATION Solar interfacial evaporation Biomimetic design Zero liquid discharge Thermal management
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