Traditional large-scale multi-objective optimization algorithms(LSMOEAs)encounter difficulties when dealing with sparse large-scale multi-objective optimization problems(SLM-OPs)where most decision variables are zero....Traditional large-scale multi-objective optimization algorithms(LSMOEAs)encounter difficulties when dealing with sparse large-scale multi-objective optimization problems(SLM-OPs)where most decision variables are zero.As a result,many algorithms use a two-layer encoding approach to optimize binary variable Mask and real variable Dec separately.Nevertheless,existing optimizers often focus on locating non-zero variable posi-tions to optimize the binary variables Mask.However,approxi-mating the sparse distribution of real Pareto optimal solutions does not necessarily mean that the objective function is optimized.In data mining,it is common to mine frequent itemsets appear-ing together in a dataset to reveal the correlation between data.Inspired by this,we propose a novel two-layer encoding learning swarm optimizer based on frequent itemsets(TELSO)to address these SLMOPs.TELSO mined the frequent terms of multiple particles with better target values to find mask combinations that can obtain better objective values for fast convergence.Experi-mental results on five real-world problems and eight benchmark sets demonstrate that TELSO outperforms existing state-of-the-art sparse large-scale multi-objective evolutionary algorithms(SLMOEAs)in terms of performance and convergence speed.展开更多
This work uses refined first-order shear theory to analyze the free vibration and transient responses of double-curved sandwich two-layer shells made of auxetic honeycomb core and laminated three-phase polymer/GNP/fib...This work uses refined first-order shear theory to analyze the free vibration and transient responses of double-curved sandwich two-layer shells made of auxetic honeycomb core and laminated three-phase polymer/GNP/fiber surface subjected to the blast load.Each of the two layers that make up the double-curved shell structure is made up of an auxetic honeycomb core and two laminated sheets of three-phase polymer/GNP/fiber.The exterior is supported by a Kerr elastic foundation with three characteristics.The key innovation of the proposed theory is that the transverse shear stresses are zero at two free surfaces of each layer.In contrast to previous first-order shear deformation theories,no shear correction factor is required.Navier's exact solution was used to treat the double-curved shell problem with a single title boundary,while the finite element technique and an eight-node quadrilateral were used to address the other boundary requirements.To ensure the accuracy of these results,a thorough comparison technique is employed in conjunction with credible statements.The problem model's edge cases allow for this kind of analysis.The study's findings may be used in the post-construction evaluation of military and civil works structures for their ability to sustain explosive loads.In addition,this is also an important basis for the calculation and design of shell structures made of smart materials when subjected to shock waves or explosive loads.展开更多
Effective small object detection is crucial in various applications including urban intelligent transportation and pedestrian detection.However,small objects are difficult to detect accurately because they contain les...Effective small object detection is crucial in various applications including urban intelligent transportation and pedestrian detection.However,small objects are difficult to detect accurately because they contain less information.Many current methods,particularly those based on Feature Pyramid Network(FPN),address this challenge by leveraging multi-scale feature fusion.However,existing FPN-based methods often suffer from inadequate feature fusion due to varying resolutions across different layers,leading to suboptimal small object detection.To address this problem,we propose the Two-layerAttention Feature Pyramid Network(TA-FPN),featuring two key modules:the Two-layer Attention Module(TAM)and the Small Object Detail Enhancement Module(SODEM).TAM uses the attention module to make the network more focused on the semantic information of the object and fuse it to the lower layer,so that each layer contains similar semantic information,to alleviate the problem of small object information being submerged due to semantic gaps between different layers.At the same time,SODEM is introduced to strengthen the local features of the object,suppress background noise,enhance the information details of the small object,and fuse the enhanced features to other feature layers to ensure that each layer is rich in small object information,to improve small object detection accuracy.Our extensive experiments on challenging datasets such as Microsoft Common Objects inContext(MSCOCO)and Pattern Analysis Statistical Modelling and Computational Learning,Visual Object Classes(PASCAL VOC)demonstrate the validity of the proposedmethod.Experimental results show a significant improvement in small object detection accuracy compared to state-of-theart detectors.展开更多
The separation of aromatics from aliphatics is essential for achieving maximum exploitation of oil resources in the petrochemical industry.In this study,a series of metal chloride-based ionic liquids were prepared and...The separation of aromatics from aliphatics is essential for achieving maximum exploitation of oil resources in the petrochemical industry.In this study,a series of metal chloride-based ionic liquids were prepared and their performances in the separation of 1,2,3,4-tetrahydronaphthalene(tetralin)/dodecane and tetralin/decalin systems were studied.Among these ionic liquids,1-ethyl-3-methylimidazolium tetrachloroferrate([EMIM][FeCl_(4)])with the highest selectivity was used as the extractant.Density functional theory calculations showed that[EMIM][FeCl_(4)]interacted more strongly with tetralin than with dodecane and decalin.Energy decomposition analysis of[EMIM][FeCl_(4)]-tetralin indicated that electrostatics and dispersion played essential roles,and induction cannot be neglected.The van der Waals forces was a main effect in[EMIM][FeCl_(4)]-tetralin by independent gradient model analysis.The tetralin distribution coefficient and selectivity were 0.8 and 110,respectively,with 10%(mol)tetralin in the initial tetralin/dodecane system,and 0.67 and 19.5,respectively,with 10%(mol)tetralin in the initial tetralin/decalin system.The selectivity increased with decreasing alkyl chain length of the extractant.The influence of the extraction temperature,extractant dosage,and initial concentrations of the system components on the separation performance were studied.Recycling experiments showed that the regenerated[EMIM][FeCl_(4)]could be used repeatedly.展开更多
To conduct extensive research on the application of ionic liquids as collectors in mineral flotation,ethanol(EtOH)was used as a solvent to dissolve hydrophobic ionic liquids(ILs)to simplify the reagent regime.Interest...To conduct extensive research on the application of ionic liquids as collectors in mineral flotation,ethanol(EtOH)was used as a solvent to dissolve hydrophobic ionic liquids(ILs)to simplify the reagent regime.Interesting phenomena were observed in which EtOH exerted different effects on the flotation efficiency of two ILs with similar structures.When EtOH was used to dissolve 1-dodecyl-3-methylimidazolium chloride(C12[mim]Cl)and as a collector for pure quartz flotation tests at a concentration of 1×10^(−5)mol·L^(−1),quartz recovery increased from 23.77%to 77.91%compared with ILs dissolved in water.However,quartz recovery of 1-dodecyl-3-methylim-idazolium hexafluorophosphate(C12[mim]PF6)decreased from 60.45%to 24.52%under the same conditions.The conditional experi-ments under 1×10^(−5)mol·L^(−1)ILs for EtOH concentration and under 2vol%EtOH for ILs concentration confirmed this difference.After being affected by EtOH,the mixed ore flotation tests of quartz and hematite showed a decrease in the hematite concentrate grade and re-covery for the C12[mim]Cl collector,whereas the hematite concentrate grade and recovery for the C12[mim]PF6 collector increased.On the basis of these differences and observations of flotation foam,two-phase bubble observation tests were carried out.The EtOH promoted the foam height of two ILs during aeration.It accelerated static froth defoaming after aeration stopped,and the foam of C12[mim]PF6 de-foaming especially quickly.In the discussion of flotation tests and foam observation,an attempt was made to explain the reasons and mechanisms behind the diverse phenomena using the dynamic surface tension effect and solvation effect results from EtOH.The solva-tion effect was verified through Fourier transform infrared(FT-IR),X-ray photoelectron spectroscopy(XPS),and Zeta potential tests.Al-though EtOH affects the adsorption of ILs on the ore surface during flotation negatively,it holds an positive value of inhibiting foam mer-ging during flotation aeration and accelerating the defoaming of static foam.And induce more robust secondary enrichment in the mixed ore flotation of the C12[mim]PF6 collector,facilitating effective mixed ore separation even under inhibitor-free conditions.展开更多
Increasing the 1,3,5-trioxane(TOX) concentration in the equilibrated vapor phase of TOX-H_(2)O system has been recognized as a challenge for the azeotrope. Ionic liquids(ILs) were used to improve the relative volatili...Increasing the 1,3,5-trioxane(TOX) concentration in the equilibrated vapor phase of TOX-H_(2)O system has been recognized as a challenge for the azeotrope. Ionic liquids(ILs) were used to improve the relative volatility of TOX to H_(2)O and destroy the azeotrope in the TOX-H2O system. The vapor-liquid equilibrium of TOX-H2O system at 101.3 kPa was studied with the addition of 1-butyl-3-methylimidazolium hydrogen sulfate, 1-hexyl-3-methylimidazolium hydrogen sulfate and 1-butyl-3-methylimidazolium nitrate, respectively. The results showed that the volatility of TOX increased with the increase in IL dosage. And the volatility of water decreased with the increase in IL dosage. The relative volatility of TOX to H_(2)O was improved with the increase in ILs dosage. The azeotrope could be destroyed with an IL mole fraction of about 0.10. A non-random two-liquid(NRTL) model was successfully used to correlate the experimental data. The interaction parameters were obtained by fitting the experimental data with the model. The results indicated that a strong interaction existed between ILs and water. The strong interaction improved the volatility of TOX and inhibited the volatility of water, and then intensified the relative volatility of TOX to H_(2)O. The results showed that an ILs with strong polarity and hydrophilicity may be a potential additive to improve the TOX concentration in the equilibrated vapor phase.展开更多
Extensive experimental studies have been performed on the Diels-Alder(DA)reactions in ionic liquids(ILs),which demonstrate that the IL environment can significantly influence the reaction rates and selectivity.However...Extensive experimental studies have been performed on the Diels-Alder(DA)reactions in ionic liquids(ILs),which demonstrate that the IL environment can significantly influence the reaction rates and selectivity.However,the underlying microscopic mechanism remains ambiguous.In this work,the multiscale reaction density functional theory is applied to explore the effect of 1-butyl-3-methylimidazolium hexafluorophosphate([BMIM][PF_(6)])solvent on the reaction of cyclopentadiene(CP)with acrolein,methyl acrylate,or acrylonitrile.By analyzing the free energy landscape during the reaction,it is found that the polarization effect has a relatively small influence,while the solvation effect makes both the activation free energy and reaction free energy decrease.In addition,the rearrangement of local solvent structure shows that the cation spatial distribution responds more evidently to the reaction than the anion,and this indicates that the cation plays a dominant role in the solvation effect and so as to affect the reaction rates and selectivity of the DA reactions.展开更多
Porous ionic liquids have demonstrated excellent performance in the field of separation,attributed to their high specific surface area and efficient mass transfer.Herein,task-specific protic porous ionic liquids(PPILs...Porous ionic liquids have demonstrated excellent performance in the field of separation,attributed to their high specific surface area and efficient mass transfer.Herein,task-specific protic porous ionic liquids(PPILs)were prepared by employing a novel one-step coupling neutralization reaction strategy for extractive desulfurization.The single-extraction efficiency of PPILs reached 75.0%for dibenzothiophene.Moreover,adding aromatic hydrocarbon interferents resulted in a slight decrease in the extraction efficiency of PPILs(from 45.2%to 37.3%,37.9%,and 33.5%),indicating the excellent extraction selectivity of PPILs.The experimental measurements and density functional theory calculations reveal that the surface channels of porous structures can selectively capture dibenzothiophene by the stronger electrophilicity(Eint(HS surface channel/DBT)=-39.8 kcal mol^(-1)),and the multiple extraction sites of ion pairs can effectively enrich and transport dibenzothiophene from the oil phase into PPILs throughπ...π,C-H...πand hydrogen bonds interactions.Furthermore,this straightforward synthetic strategy can be employed in preparing porous liquids,offering new possibilities for synthesizing PPILs with tailored functionalities.展开更多
Ionic liquids (ILs) have been proven to be an effective technology for enhancing drug transdermal absorption. However, due to the unique structural components of ILs, the design of efficient ILs and elucidation of act...Ionic liquids (ILs) have been proven to be an effective technology for enhancing drug transdermal absorption. However, due to the unique structural components of ILs, the design of efficient ILs and elucidation of action mechanisms remain to be explored. In this review, basic design principles of ideal ILs for transdermal drug delivery system (TDDS) are discussed considering melting point, skin permeability, and toxicity, which depend on the molar ratios, types, functional groups of ions and inter-ionic interactions. Secondly, the contributions of ILs to the development of TDDS through different roles are described: as novel skin penetration enhancers for enhancing transdermal absorption of drugs;as novel solvents for improving the solubility of drugs in carriers;as novel active pharmaceutical ingredients (API-ILs) for regulating skin permeability, solubility, release, and pharmacokinetic behaviors of drugs;and as novel polymers for the development of smart medical materials. Moreover, diverse action mechanisms, mainly including the interactions among ILs, drugs, polymers, and skin components, are summarized. Finally, future challenges related to ILs are discussed, including underlying quantitative structure-activity relationships, complex interaction forces between anions, drugs, polymers and skin microenvironment, long-term stability, and in vivo safety issues. In summary, this article will promote the development of TDDS based on ILs.展开更多
Ionic liquids(ILs)are an emerging class of media of fundamental importance for chemical engineering,especially due to their interaction with solid surfaces.Here,we explore the growth phenomenon of surface-confined ILs...Ionic liquids(ILs)are an emerging class of media of fundamental importance for chemical engineering,especially due to their interaction with solid surfaces.Here,we explore the growth phenomenon of surface-confined ILs and reveal a peculiar structural transition behavior from order to disorder above a threshold thickness.This behavior can be explained by the variation of interfacial forces with increasing distance from the solid surface.Direct structural observation of different ILs highlights the influence of the ionic structure on the growth process.Notably,the length of the alkyl chain in the cation is found to be a determining factor for the ordering trend.Also,the thermal stability of surface-confined ILs is investigated in depth by controlling annealing treatments.It is found that the ordered monolayer ILs exhibit high robustness against high temperatures.Our findings provide new perspectives on the properties of surface-confined ILs and open up potential avenues for manipulating the structures of nanometer-thick IL films for various applications.展开更多
The dramatic temperature-dependence of liquids dynamics has attracted considerable scientific interests and efforts in the past decades, but the physics of which remains elusive. In addition to temperature, some other...The dramatic temperature-dependence of liquids dynamics has attracted considerable scientific interests and efforts in the past decades, but the physics of which remains elusive. In addition to temperature, some other parameters, such as pressure, loading and size, can also tune the liquid dynamics and induce glass transition, which makes the situation more complicated. Here, we performed molecular dynamics simulations for Ni_(50)Zr_(50) bulk liquid and nanodroplet to study the dynamics evolution in the complex multivariate phase space, especially along the isotherm with the change of pressure or droplet size. It is found that the short-time Debye–Waller factor universally determines the long-time relaxation dynamics no matter how the temperature, pressure or size changes. The basic correlation even holds at the local atomic scale. This finding provides general understanding of the microscopic mechanism of dynamic arrest and dynamic heterogeneity.展开更多
Water stability is one of the most important factors restricting the practical application of metal organic frameworks (MOFs). In this work, wefabricate a highly defective HKUST-1 framework with a mixed valence of CuI...Water stability is one of the most important factors restricting the practical application of metal organic frameworks (MOFs). In this work, wefabricate a highly defective HKUST-1 framework with a mixed valence of CuI/CuIIby mechanical ball milling method. This defective HKUST-1is embellished by functionalized ionic liquids as hydrophobic armor, making the hybrid HIL1@HKUST-1 exhibits outstanding water stability,remarkable SO_(2) adsorption (up to 5.71 mmol g^(-1)), and record-breaking selectivity (1070 for SO_(2)/CO_(2) and 31,515 for SO_(2)/N_(2)) at 25 ℃ and0.1 bar, even in wet conditions.展开更多
The Janus fabrics designed for personal moisture/thermal regulation have garnered significant attention for their potential to enhance human comfort.However,the development of smart and dynamic fabrics capable of mana...The Janus fabrics designed for personal moisture/thermal regulation have garnered significant attention for their potential to enhance human comfort.However,the development of smart and dynamic fabrics capable of managing personal moisture/thermal comfort in response to changing external environments remains a challenge.Herein,a smart cellulose-based Janus fabric was designed to dynamically manage personal moisture/heat.The cotton fabric was grafted with N-isopropylacrylamide to construct a temperature-stimulated transport channel.Subsequently,hydrophobic ethyl cellulose and hydrophilic cellulose nanofiber were sprayed on the bottom and top sides of the fabric to obtain wettability gradient.The fabric exhibits anti-gravity directional liquid transportation from hydrophobic side to hydrophilic side,and can dynamically and continuously control the transportation time in a wide range of 3–66 s as the temperature increases from 10 to 40℃.This smart fabric can quickly dissipate heat at high temperatures,while at low temperatures,it can slow down the heat dissipation rate and prevent the human from becoming too cold.In addition,the fabric has UV shielding and photodynamic antibacterial properties through depositing graphitic carbon nitride nanosheets on the hydrophilic side.This smart fabric offers an innovative approach to maximizing personal comfort in environments with significant temperature variations.展开更多
The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this wo...The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.展开更多
Rayleigh-Marangoni-Bénard instability in a system of two-layer fluids is studied nu- merically.The convective instabilities in the system of Silicon Oil(10cSt)and Fluorinert(FC70)liquids have been analyzed.The cr...Rayleigh-Marangoni-Bénard instability in a system of two-layer fluids is studied nu- merically.The convective instabilities in the system of Silicon Oil(10cSt)and Fluorinert(FC70)liquids have been analyzed.The critical parameters at onset of convection are presented in a large range of two-layer depth ratios from 0.2 to 5.0.Numerical results show that the instability of the two-layer system depends strongly on its depth ratio.When the depth ratio increases,the instability mode changes from mechanical coupling to thermal coupling.Between these two typical coupling modes, a time-dependent oscillation is detected.Nevertheless,traveling wave states are found in the case of oscillatory instability.The oscillation mode results from the competition between Rayleigh instability and Marangoni effect.展开更多
Aluminum was electrodeposited with constant current on AZ31 magnesium alloy pretreated under optimized conditions from trimethyl-phenyl-ammonium chloride and anhydrous aluminum chloride (TMPAC-AlCl3) quaternary ammo...Aluminum was electrodeposited with constant current on AZ31 magnesium alloy pretreated under optimized conditions from trimethyl-phenyl-ammonium chloride and anhydrous aluminum chloride (TMPAC-AlCl3) quaternary ammonium room temperature ionic liquids with benzene as a co-solvent. The corrosion resistance of the as-deposited Al layers was evaluated in 3.5% NaCl solution by the electrochemical technologies. The Al depositions were characterized by scanning electron microscopy equipped with energy dispersion X-ray. The results show that the microstructures of the Al depositions have spherical equiaxed grains obtained at a high current density, and bulk grains at a low current density. The Al deposition obtained at 12.3 mA/cm2 has a smooth and compact surface. The electrochemical measurements indicate that the thicker Al deposition can more effectively protect the Mg substrate. The Al deposition with bulk grains hardly protects the AZ31 Mg substrate from corrosion owing to its porosity.展开更多
It is difficult to directly electroplate Al on Mg alloys. The effects of pretreatment parameters on the corrosion resistance of films obtained on AZ31 Mg alloy surface were studied by using potentiodynamic polarizatio...It is difficult to directly electroplate Al on Mg alloys. The effects of pretreatment parameters on the corrosion resistance of films obtained on AZ31 Mg alloy surface were studied by using potentiodynamic polarization curves, to produce a compact interfacial layer as zinc-immersion deposition. After the substrate was pretreated under optimized conditions, aluminum was electrodeposited on AZ31 from TMPAC-AlCl3 room temperature ionic liquids. The depositions were characterized by scanning electron microscope equipped with energy dispersion X-ray. The results show that the traditional pretreatment of Mg alloys was successfully used for the Al-electroplating process from TMPAC-AlCl3 ionic liquids. The entire procedure includes alkaline cleaning, chemical pickling, surface activation (400 mL/L HF acid, 10 min), zinc-immersion (20 min) and anhydrous treatment. A relatively compact zinc-immersion film was prepared on the substrate surface. A silvery-colored satin aluminum deposition was obtained on AZ31 from TMPAC-AlCl3 using direct current plating.展开更多
Based on the synchronous joint gravity and magnetic inversion of single interface by Pilkington and the need of revealing Cenozoic and crystalline basement thickness in the new round of oil-gas exploration, we propose...Based on the synchronous joint gravity and magnetic inversion of single interface by Pilkington and the need of revealing Cenozoic and crystalline basement thickness in the new round of oil-gas exploration, we propose a joint gravity and magnetic inversion methodfor two-layer models by concentrating on the relationship between the change of thicknessI and position of the middle layer and anomaly and discuss the effects of the key parameters. Model tests and application to field data show the validity of this method.展开更多
Binary mixtures of 1,3-dialkylimidazolium based ionic liquids (ILs) and water were selected as solvent systems to investigate the solute-solvent and solvent-solvent interactions on the preferential solvation of solv...Binary mixtures of 1,3-dialkylimidazolium based ionic liquids (ILs) and water were selected as solvent systems to investigate the solute-solvent and solvent-solvent interactions on the preferential solvation of solvatochromic indicators at 25 ℃. Empirical solvatochromic pa- rameters, dipolarity/polarizability (π^*), hydrogen-bond donor acidity (α), hydrogen-bond acceptor basicity (β), and Reichardt's polarity parameters (ET^N) were measured from the ultraviolet-visible spectral shifts of 4-nitroaniline, 4-nitroanisole, and Reichardt's dye. The solvent properties of the IL-water mixtures were found to be influenced by IL type and IL mole fraction (XIL). All these studied systems showed the non-ideal behavior. The max- imum deviation to ideality for the solvatochromic parameters can be obtained in the XIL range from 0.i to 0.3. For most of the binary mixtures, the π^* values showed the synergistic effects instead of the ETN, α and β values. The observed synergy extent was dependent on the studied systems, such as the dye indicator and IL type. A preferential solvation model was utilized to gather information on the molecular interactions in the mixtures. The dye indicator was preferentially solvated on the following trend: IL〉IL-water complex〉water.展开更多
Quantum mechanics and molecular dynamics are used to simulate guanidinium ionic liquids. Results show that the stronger interaction exists between guanidine cation and chlorine anion with interaction energy about 109....Quantum mechanics and molecular dynamics are used to simulate guanidinium ionic liquids. Results show that the stronger interaction exists between guanidine cation and chlorine anion with interaction energy about 109.216 kcal/mol. There are two types of spatial distribution for the title system: middle and top. Middle mode is a more stable conformation according to energy and geometric distribution. It is also verified by radial distribution function. The continuous increase of carbon dioxide (CO2) does not affect the structure of ionic liquids, but CO2 molecules are always captured by the cavity of ionic liquids.展开更多
基金supported by the Scientific Research Project of Xiang Jiang Lab(22XJ02003)the University Fundamental Research Fund(23-ZZCX-JDZ-28)+5 种基金the National Science Fund for Outstanding Young Scholars(62122093)the National Natural Science Foundation of China(72071205)the Hunan Graduate Research Innovation Project(ZC23112101-10)the Hunan Natural Science Foundation Regional Joint Project(2023JJ50490)the Science and Technology Project for Young and Middle-aged Talents of Hunan(2023TJ-Z03)the Science and Technology Innovation Program of Humnan Province(2023RC1002)。
文摘Traditional large-scale multi-objective optimization algorithms(LSMOEAs)encounter difficulties when dealing with sparse large-scale multi-objective optimization problems(SLM-OPs)where most decision variables are zero.As a result,many algorithms use a two-layer encoding approach to optimize binary variable Mask and real variable Dec separately.Nevertheless,existing optimizers often focus on locating non-zero variable posi-tions to optimize the binary variables Mask.However,approxi-mating the sparse distribution of real Pareto optimal solutions does not necessarily mean that the objective function is optimized.In data mining,it is common to mine frequent itemsets appear-ing together in a dataset to reveal the correlation between data.Inspired by this,we propose a novel two-layer encoding learning swarm optimizer based on frequent itemsets(TELSO)to address these SLMOPs.TELSO mined the frequent terms of multiple particles with better target values to find mask combinations that can obtain better objective values for fast convergence.Experi-mental results on five real-world problems and eight benchmark sets demonstrate that TELSO outperforms existing state-of-the-art sparse large-scale multi-objective evolutionary algorithms(SLMOEAs)in terms of performance and convergence speed.
文摘This work uses refined first-order shear theory to analyze the free vibration and transient responses of double-curved sandwich two-layer shells made of auxetic honeycomb core and laminated three-phase polymer/GNP/fiber surface subjected to the blast load.Each of the two layers that make up the double-curved shell structure is made up of an auxetic honeycomb core and two laminated sheets of three-phase polymer/GNP/fiber.The exterior is supported by a Kerr elastic foundation with three characteristics.The key innovation of the proposed theory is that the transverse shear stresses are zero at two free surfaces of each layer.In contrast to previous first-order shear deformation theories,no shear correction factor is required.Navier's exact solution was used to treat the double-curved shell problem with a single title boundary,while the finite element technique and an eight-node quadrilateral were used to address the other boundary requirements.To ensure the accuracy of these results,a thorough comparison technique is employed in conjunction with credible statements.The problem model's edge cases allow for this kind of analysis.The study's findings may be used in the post-construction evaluation of military and civil works structures for their ability to sustain explosive loads.In addition,this is also an important basis for the calculation and design of shell structures made of smart materials when subjected to shock waves or explosive loads.
文摘Effective small object detection is crucial in various applications including urban intelligent transportation and pedestrian detection.However,small objects are difficult to detect accurately because they contain less information.Many current methods,particularly those based on Feature Pyramid Network(FPN),address this challenge by leveraging multi-scale feature fusion.However,existing FPN-based methods often suffer from inadequate feature fusion due to varying resolutions across different layers,leading to suboptimal small object detection.To address this problem,we propose the Two-layerAttention Feature Pyramid Network(TA-FPN),featuring two key modules:the Two-layer Attention Module(TAM)and the Small Object Detail Enhancement Module(SODEM).TAM uses the attention module to make the network more focused on the semantic information of the object and fuse it to the lower layer,so that each layer contains similar semantic information,to alleviate the problem of small object information being submerged due to semantic gaps between different layers.At the same time,SODEM is introduced to strengthen the local features of the object,suppress background noise,enhance the information details of the small object,and fuse the enhanced features to other feature layers to ensure that each layer is rich in small object information,to improve small object detection accuracy.Our extensive experiments on challenging datasets such as Microsoft Common Objects inContext(MSCOCO)and Pattern Analysis Statistical Modelling and Computational Learning,Visual Object Classes(PASCAL VOC)demonstrate the validity of the proposedmethod.Experimental results show a significant improvement in small object detection accuracy compared to state-of-theart detectors.
基金supported by the National Natural Science Foundation of China(22125802,22078010).
文摘The separation of aromatics from aliphatics is essential for achieving maximum exploitation of oil resources in the petrochemical industry.In this study,a series of metal chloride-based ionic liquids were prepared and their performances in the separation of 1,2,3,4-tetrahydronaphthalene(tetralin)/dodecane and tetralin/decalin systems were studied.Among these ionic liquids,1-ethyl-3-methylimidazolium tetrachloroferrate([EMIM][FeCl_(4)])with the highest selectivity was used as the extractant.Density functional theory calculations showed that[EMIM][FeCl_(4)]interacted more strongly with tetralin than with dodecane and decalin.Energy decomposition analysis of[EMIM][FeCl_(4)]-tetralin indicated that electrostatics and dispersion played essential roles,and induction cannot be neglected.The van der Waals forces was a main effect in[EMIM][FeCl_(4)]-tetralin by independent gradient model analysis.The tetralin distribution coefficient and selectivity were 0.8 and 110,respectively,with 10%(mol)tetralin in the initial tetralin/dodecane system,and 0.67 and 19.5,respectively,with 10%(mol)tetralin in the initial tetralin/decalin system.The selectivity increased with decreasing alkyl chain length of the extractant.The influence of the extraction temperature,extractant dosage,and initial concentrations of the system components on the separation performance were studied.Recycling experiments showed that the regenerated[EMIM][FeCl_(4)]could be used repeatedly.
基金supported by the National Natural Science Foundation of China(No.51874221)the Open Foundation of Guangxi Key Laboratory of Processing for Nonferrous Metals and Featured Materials,Guangxi University(No.2022GXYSOF 11).
文摘To conduct extensive research on the application of ionic liquids as collectors in mineral flotation,ethanol(EtOH)was used as a solvent to dissolve hydrophobic ionic liquids(ILs)to simplify the reagent regime.Interesting phenomena were observed in which EtOH exerted different effects on the flotation efficiency of two ILs with similar structures.When EtOH was used to dissolve 1-dodecyl-3-methylimidazolium chloride(C12[mim]Cl)and as a collector for pure quartz flotation tests at a concentration of 1×10^(−5)mol·L^(−1),quartz recovery increased from 23.77%to 77.91%compared with ILs dissolved in water.However,quartz recovery of 1-dodecyl-3-methylim-idazolium hexafluorophosphate(C12[mim]PF6)decreased from 60.45%to 24.52%under the same conditions.The conditional experi-ments under 1×10^(−5)mol·L^(−1)ILs for EtOH concentration and under 2vol%EtOH for ILs concentration confirmed this difference.After being affected by EtOH,the mixed ore flotation tests of quartz and hematite showed a decrease in the hematite concentrate grade and re-covery for the C12[mim]Cl collector,whereas the hematite concentrate grade and recovery for the C12[mim]PF6 collector increased.On the basis of these differences and observations of flotation foam,two-phase bubble observation tests were carried out.The EtOH promoted the foam height of two ILs during aeration.It accelerated static froth defoaming after aeration stopped,and the foam of C12[mim]PF6 de-foaming especially quickly.In the discussion of flotation tests and foam observation,an attempt was made to explain the reasons and mechanisms behind the diverse phenomena using the dynamic surface tension effect and solvation effect results from EtOH.The solva-tion effect was verified through Fourier transform infrared(FT-IR),X-ray photoelectron spectroscopy(XPS),and Zeta potential tests.Al-though EtOH affects the adsorption of ILs on the ore surface during flotation negatively,it holds an positive value of inhibiting foam mer-ging during flotation aeration and accelerating the defoaming of static foam.And induce more robust secondary enrichment in the mixed ore flotation of the C12[mim]PF6 collector,facilitating effective mixed ore separation even under inhibitor-free conditions.
基金supported by the fundamental research funds for the central universities(2022SCUH0041,SCU2023D012).
文摘Increasing the 1,3,5-trioxane(TOX) concentration in the equilibrated vapor phase of TOX-H_(2)O system has been recognized as a challenge for the azeotrope. Ionic liquids(ILs) were used to improve the relative volatility of TOX to H_(2)O and destroy the azeotrope in the TOX-H2O system. The vapor-liquid equilibrium of TOX-H2O system at 101.3 kPa was studied with the addition of 1-butyl-3-methylimidazolium hydrogen sulfate, 1-hexyl-3-methylimidazolium hydrogen sulfate and 1-butyl-3-methylimidazolium nitrate, respectively. The results showed that the volatility of TOX increased with the increase in IL dosage. And the volatility of water decreased with the increase in IL dosage. The relative volatility of TOX to H_(2)O was improved with the increase in ILs dosage. The azeotrope could be destroyed with an IL mole fraction of about 0.10. A non-random two-liquid(NRTL) model was successfully used to correlate the experimental data. The interaction parameters were obtained by fitting the experimental data with the model. The results indicated that a strong interaction existed between ILs and water. The strong interaction improved the volatility of TOX and inhibited the volatility of water, and then intensified the relative volatility of TOX to H_(2)O. The results showed that an ILs with strong polarity and hydrophilicity may be a potential additive to improve the TOX concentration in the equilibrated vapor phase.
基金supported by the National Natural Science Foundation of China(22168002,22108070,21878078)the Natural Science Foundation of Guangxi Province(2020GXNSFAA159119)+2 种基金the Dean Project of Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology(2021Z012)the Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP(SKLMRD-K202106)the Young Elite Scientists Sponsorship Program by CAST(2022QNRC001)。
文摘Extensive experimental studies have been performed on the Diels-Alder(DA)reactions in ionic liquids(ILs),which demonstrate that the IL environment can significantly influence the reaction rates and selectivity.However,the underlying microscopic mechanism remains ambiguous.In this work,the multiscale reaction density functional theory is applied to explore the effect of 1-butyl-3-methylimidazolium hexafluorophosphate([BMIM][PF_(6)])solvent on the reaction of cyclopentadiene(CP)with acrolein,methyl acrylate,or acrylonitrile.By analyzing the free energy landscape during the reaction,it is found that the polarization effect has a relatively small influence,while the solvation effect makes both the activation free energy and reaction free energy decrease.In addition,the rearrangement of local solvent structure shows that the cation spatial distribution responds more evidently to the reaction than the anion,and this indicates that the cation plays a dominant role in the solvation effect and so as to affect the reaction rates and selectivity of the DA reactions.
基金financially supported by the National Natural Science Foundation of China (Nos.22078135,21808092,21978119,22202088)。
文摘Porous ionic liquids have demonstrated excellent performance in the field of separation,attributed to their high specific surface area and efficient mass transfer.Herein,task-specific protic porous ionic liquids(PPILs)were prepared by employing a novel one-step coupling neutralization reaction strategy for extractive desulfurization.The single-extraction efficiency of PPILs reached 75.0%for dibenzothiophene.Moreover,adding aromatic hydrocarbon interferents resulted in a slight decrease in the extraction efficiency of PPILs(from 45.2%to 37.3%,37.9%,and 33.5%),indicating the excellent extraction selectivity of PPILs.The experimental measurements and density functional theory calculations reveal that the surface channels of porous structures can selectively capture dibenzothiophene by the stronger electrophilicity(Eint(HS surface channel/DBT)=-39.8 kcal mol^(-1)),and the multiple extraction sites of ion pairs can effectively enrich and transport dibenzothiophene from the oil phase into PPILs throughπ...π,C-H...πand hydrogen bonds interactions.Furthermore,this straightforward synthetic strategy can be employed in preparing porous liquids,offering new possibilities for synthesizing PPILs with tailored functionalities.
基金funded by the National Natural Science Foundation of China(82273881 and 82304386)Guangdong Basic and Applied Basic Research Foundation(2022A1515110476)+1 种基金the Open Fund of Guangdong Provincial Key Laboratory of Infectious Diseases and Molecular Immunopathology(GDKL202214)SUMC Scientiffc Research Initiation Grant(510858046 and 510858056).
文摘Ionic liquids (ILs) have been proven to be an effective technology for enhancing drug transdermal absorption. However, due to the unique structural components of ILs, the design of efficient ILs and elucidation of action mechanisms remain to be explored. In this review, basic design principles of ideal ILs for transdermal drug delivery system (TDDS) are discussed considering melting point, skin permeability, and toxicity, which depend on the molar ratios, types, functional groups of ions and inter-ionic interactions. Secondly, the contributions of ILs to the development of TDDS through different roles are described: as novel skin penetration enhancers for enhancing transdermal absorption of drugs;as novel solvents for improving the solubility of drugs in carriers;as novel active pharmaceutical ingredients (API-ILs) for regulating skin permeability, solubility, release, and pharmacokinetic behaviors of drugs;and as novel polymers for the development of smart medical materials. Moreover, diverse action mechanisms, mainly including the interactions among ILs, drugs, polymers, and skin components, are summarized. Finally, future challenges related to ILs are discussed, including underlying quantitative structure-activity relationships, complex interaction forces between anions, drugs, polymers and skin microenvironment, long-term stability, and in vivo safety issues. In summary, this article will promote the development of TDDS based on ILs.
基金supported by the National Key Research and Development Program of China(2021YFB3802600)the National Natural Science Foundation of China(22278396,22378392,22178344)+1 种基金the Youth Innovation Promotion Association CAS(Y2021022)the Open Research Fund of State Key Laboratory of Mesoscience and Engineering(MESO-23-D17)。
文摘Ionic liquids(ILs)are an emerging class of media of fundamental importance for chemical engineering,especially due to their interaction with solid surfaces.Here,we explore the growth phenomenon of surface-confined ILs and reveal a peculiar structural transition behavior from order to disorder above a threshold thickness.This behavior can be explained by the variation of interfacial forces with increasing distance from the solid surface.Direct structural observation of different ILs highlights the influence of the ionic structure on the growth process.Notably,the length of the alkyl chain in the cation is found to be a determining factor for the ordering trend.Also,the thermal stability of surface-confined ILs is investigated in depth by controlling annealing treatments.It is found that the ordered monolayer ILs exhibit high robustness against high temperatures.Our findings provide new perspectives on the properties of surface-confined ILs and open up potential avenues for manipulating the structures of nanometer-thick IL films for various applications.
基金Project supported by the National Natural Science Foundation of China (Grant No.52031016)。
文摘The dramatic temperature-dependence of liquids dynamics has attracted considerable scientific interests and efforts in the past decades, but the physics of which remains elusive. In addition to temperature, some other parameters, such as pressure, loading and size, can also tune the liquid dynamics and induce glass transition, which makes the situation more complicated. Here, we performed molecular dynamics simulations for Ni_(50)Zr_(50) bulk liquid and nanodroplet to study the dynamics evolution in the complex multivariate phase space, especially along the isotherm with the change of pressure or droplet size. It is found that the short-time Debye–Waller factor universally determines the long-time relaxation dynamics no matter how the temperature, pressure or size changes. The basic correlation even holds at the local atomic scale. This finding provides general understanding of the microscopic mechanism of dynamic arrest and dynamic heterogeneity.
基金supported by the National Natural Science Foundation of China(nos.22168012 and 22208070)the Key Laboratory of Carbon-based Energy Molecular Chemical Utilization Technology in Guizhou Province(no.2023008)the Guizhou Province Outstanding Young Scientific and Technological Talents Program(no.YQK2023007).
文摘Water stability is one of the most important factors restricting the practical application of metal organic frameworks (MOFs). In this work, wefabricate a highly defective HKUST-1 framework with a mixed valence of CuI/CuIIby mechanical ball milling method. This defective HKUST-1is embellished by functionalized ionic liquids as hydrophobic armor, making the hybrid HIL1@HKUST-1 exhibits outstanding water stability,remarkable SO_(2) adsorption (up to 5.71 mmol g^(-1)), and record-breaking selectivity (1070 for SO_(2)/CO_(2) and 31,515 for SO_(2)/N_(2)) at 25 ℃ and0.1 bar, even in wet conditions.
基金support of this work by National Key Research and Development Program of China(2019YFC19059003)the Natural Science Foundation of the Jiangsu Higher Education Institutions of China(23KJB430024)+1 种基金Jiangsu Funding Program for Excellent Postdoctoral Talent(2023ZB680)Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD)are gratefully acknowledged.
文摘The Janus fabrics designed for personal moisture/thermal regulation have garnered significant attention for their potential to enhance human comfort.However,the development of smart and dynamic fabrics capable of managing personal moisture/thermal comfort in response to changing external environments remains a challenge.Herein,a smart cellulose-based Janus fabric was designed to dynamically manage personal moisture/heat.The cotton fabric was grafted with N-isopropylacrylamide to construct a temperature-stimulated transport channel.Subsequently,hydrophobic ethyl cellulose and hydrophilic cellulose nanofiber were sprayed on the bottom and top sides of the fabric to obtain wettability gradient.The fabric exhibits anti-gravity directional liquid transportation from hydrophobic side to hydrophilic side,and can dynamically and continuously control the transportation time in a wide range of 3–66 s as the temperature increases from 10 to 40℃.This smart fabric can quickly dissipate heat at high temperatures,while at low temperatures,it can slow down the heat dissipation rate and prevent the human from becoming too cold.In addition,the fabric has UV shielding and photodynamic antibacterial properties through depositing graphitic carbon nitride nanosheets on the hydrophilic side.This smart fabric offers an innovative approach to maximizing personal comfort in environments with significant temperature variations.
文摘The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.
基金The project supported by the National Natural Science Foundation of China (10372105) and the Knowledge Innovation Program of Chinese Academy of Sciences (KJCX2-SW-L05)
文摘Rayleigh-Marangoni-Bénard instability in a system of two-layer fluids is studied nu- merically.The convective instabilities in the system of Silicon Oil(10cSt)and Fluorinert(FC70)liquids have been analyzed.The critical parameters at onset of convection are presented in a large range of two-layer depth ratios from 0.2 to 5.0.Numerical results show that the instability of the two-layer system depends strongly on its depth ratio.When the depth ratio increases,the instability mode changes from mechanical coupling to thermal coupling.Between these two typical coupling modes, a time-dependent oscillation is detected.Nevertheless,traveling wave states are found in the case of oscillatory instability.The oscillation mode results from the competition between Rayleigh instability and Marangoni effect.
文摘Aluminum was electrodeposited with constant current on AZ31 magnesium alloy pretreated under optimized conditions from trimethyl-phenyl-ammonium chloride and anhydrous aluminum chloride (TMPAC-AlCl3) quaternary ammonium room temperature ionic liquids with benzene as a co-solvent. The corrosion resistance of the as-deposited Al layers was evaluated in 3.5% NaCl solution by the electrochemical technologies. The Al depositions were characterized by scanning electron microscopy equipped with energy dispersion X-ray. The results show that the microstructures of the Al depositions have spherical equiaxed grains obtained at a high current density, and bulk grains at a low current density. The Al deposition obtained at 12.3 mA/cm2 has a smooth and compact surface. The electrochemical measurements indicate that the thicker Al deposition can more effectively protect the Mg substrate. The Al deposition with bulk grains hardly protects the AZ31 Mg substrate from corrosion owing to its porosity.
文摘It is difficult to directly electroplate Al on Mg alloys. The effects of pretreatment parameters on the corrosion resistance of films obtained on AZ31 Mg alloy surface were studied by using potentiodynamic polarization curves, to produce a compact interfacial layer as zinc-immersion deposition. After the substrate was pretreated under optimized conditions, aluminum was electrodeposited on AZ31 from TMPAC-AlCl3 room temperature ionic liquids. The depositions were characterized by scanning electron microscope equipped with energy dispersion X-ray. The results show that the traditional pretreatment of Mg alloys was successfully used for the Al-electroplating process from TMPAC-AlCl3 ionic liquids. The entire procedure includes alkaline cleaning, chemical pickling, surface activation (400 mL/L HF acid, 10 min), zinc-immersion (20 min) and anhydrous treatment. A relatively compact zinc-immersion film was prepared on the substrate surface. A silvery-colored satin aluminum deposition was obtained on AZ31 from TMPAC-AlCl3 using direct current plating.
基金Supported by the National Natural Science Foundation of China(Grant No.40674063)National Hi-tech Research and Development Program of China(863Program)(Grant No.2006AA09Z311)
文摘Based on the synchronous joint gravity and magnetic inversion of single interface by Pilkington and the need of revealing Cenozoic and crystalline basement thickness in the new round of oil-gas exploration, we propose a joint gravity and magnetic inversion methodfor two-layer models by concentrating on the relationship between the change of thicknessI and position of the middle layer and anomaly and discuss the effects of the key parameters. Model tests and application to field data show the validity of this method.
文摘Binary mixtures of 1,3-dialkylimidazolium based ionic liquids (ILs) and water were selected as solvent systems to investigate the solute-solvent and solvent-solvent interactions on the preferential solvation of solvatochromic indicators at 25 ℃. Empirical solvatochromic pa- rameters, dipolarity/polarizability (π^*), hydrogen-bond donor acidity (α), hydrogen-bond acceptor basicity (β), and Reichardt's polarity parameters (ET^N) were measured from the ultraviolet-visible spectral shifts of 4-nitroaniline, 4-nitroanisole, and Reichardt's dye. The solvent properties of the IL-water mixtures were found to be influenced by IL type and IL mole fraction (XIL). All these studied systems showed the non-ideal behavior. The max- imum deviation to ideality for the solvatochromic parameters can be obtained in the XIL range from 0.i to 0.3. For most of the binary mixtures, the π^* values showed the synergistic effects instead of the ETN, α and β values. The observed synergy extent was dependent on the studied systems, such as the dye indicator and IL type. A preferential solvation model was utilized to gather information on the molecular interactions in the mixtures. The dye indicator was preferentially solvated on the following trend: IL〉IL-water complex〉water.
基金ACKNOWLEDGMENTS This work was supported by the Open Project Program of Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan University of Science and Technology, China (No.E21104), the National Natural Science Foundation of China (No.21201062 and No.21172066), and the International Cooperation Project (No.2013DFG60060).
文摘Quantum mechanics and molecular dynamics are used to simulate guanidinium ionic liquids. Results show that the stronger interaction exists between guanidine cation and chlorine anion with interaction energy about 109.216 kcal/mol. There are two types of spatial distribution for the title system: middle and top. Middle mode is a more stable conformation according to energy and geometric distribution. It is also verified by radial distribution function. The continuous increase of carbon dioxide (CO2) does not affect the structure of ionic liquids, but CO2 molecules are always captured by the cavity of ionic liquids.