[Objective]This study was to reveal the essence of mechanism about how the alien invasive plants spread.[Method]Species niche and material/energy flow were used as basic research indicators to analyze the intrinsic me...[Objective]This study was to reveal the essence of mechanism about how the alien invasive plants spread.[Method]Species niche and material/energy flow were used as basic research indicators to analyze the intrinsic mechanism of alien plants invasion.[Result]Most of the invasive plants have not been explicitly defined and their effective control methods not brought forward.[Conclusion]Overrun of alien invasive plants depends on whether the niche of a species could be continuously met at spatial level.Based on this we put forward corresponding control measures,proposed an assumption to establish a cylinder-network model and discussed the definition of alien invasive plants.展开更多
The accurate representation of tribological boundary conditions at the tool–workpiece interface is crucial for analysis and optimization of formability,material flow,and surface quality of components during metal for...The accurate representation of tribological boundary conditions at the tool–workpiece interface is crucial for analysis and optimization of formability,material flow,and surface quality of components during metal forming processes.It has been found that these tribological conditions vary spatially and historically with process parameters and contact conditions.These time-dependent tribological behaviours are also known as transient tribological phenomena,which are widely observed during forming processes and many other manufacturing application scenarios.However,constant friction values are usually assigned to represent complex and dynamic interfacial conditions,which would introduce deviations in the relevant predictions.In this paper,transient tribological phenomena and the contemporary understanding of the interaction between friction and wear are reviewed,and it has been found that these phenomena are induced by the transitions of friction mechanisms and highly dependent on complex loading conditions at the interface.Friction modelling techniques for transient behaviours for metal forming applications are also reviewed.To accurately describe the evolutionary friction values and corresponding wear during forming,the advanced interactive friction modelling has been established for different application scenarios,including lubricated condition,dry sliding condition(metal-on-metal contact),and coated system.展开更多
Verticillium wilt,caused by the infamous pathogen Verticillium dahliae,presents a primary constraint on cotton cul-tivation worldwide.The complexity of disease resistance in cotton and the largely unexplored interacti...Verticillium wilt,caused by the infamous pathogen Verticillium dahliae,presents a primary constraint on cotton cul-tivation worldwide.The complexity of disease resistance in cotton and the largely unexplored interaction dynamics between the cotton plant host and V.dahliae pathogen pose a crucial predicament for effectively managing cotton Verticillium wilt.Nevertheless,the most cost-effective approach to controlling this disease involves breeding and cul-tivating resistant cotton varieties,demanding a meticulous analysis of the mechanisms underlying cotton’s resistance to Verticillium wilt and the identification of pivotal genes.These aspects constitute focal points in disease-resistance breeding programs.In this review,we comprehensively discuss genetic inheritance associated with Verticillium wilt resistance in cotton,the advancements in molecular markers for disease resistance,the functional investiga-tion of resistance genes in cotton,the analysis of pathogenicity genes in V.dahliae,as well as the intricate interplay between cotton and this fungus.Moreover,we delve into the future prospects of cutting-edge research on cotton Verticillium wilt,aiming to proffer valuable insights for the effective management of this devastating fungus.展开更多
In order to explore the effect mechanism of solvent on the synthesis of the metal organic framework materials, the microscopic interaction between solvent and framework and the effects of N,N-dimethyl-formamide(DMF) o...In order to explore the effect mechanism of solvent on the synthesis of the metal organic framework materials, the microscopic interaction between solvent and framework and the effects of N,N-dimethyl-formamide(DMF) or N-methyl- 2-pyrrolidone(NMP) on solvothermal synthesis of [Zn4O(BDC)3]8 were investigated through a combined DFT and experimental study. XRD and SEM showed that the absorbability of NMP in the pore of [Zn4O(BDC)3]8 was weaker than that of DMF. The thermal decomposition temperature of [Zn4O(BDC)3]8 synthesized in DMF was higher than that in NMP according to TG and FT-IR. In addition, the nitrogen sorption isotherms indicated that NMP improved gas sorption property of [Zn4O(BDC)3]8. The COSMO optimized calculations indicated that the total energy of Zn4O(BDC)3 in NMP was higher than that in DMF, and compared with non-solvent system, the charge of zinc atoms decreased and the charge value was the smallest in NMP. Furthermore, the interaction of DMF, NMP or DEF in [Zn4O(BDC)3]8 crystal model was calculated by DFT method. The results suggested that NMP should be easier to be removed from pore of materials than DMF from the point of view of energy state. It can be concluded that NMP was a favorable solvent to synthesize [Zn4O(BDC)3]8 and the microscopic mechanism was that the binding force between Zn4O(BDC)3 and NMP molecule was weaker than DMF.展开更多
The maximum Mode Ⅰ and Mode Ⅱ stress intensity factors(SIFs), KI,kmax(θ) and KII,kmax(θ)(0°<θ<360°), of inclined parallel multi-crack varying with relative positions(including horizontal and verti...The maximum Mode Ⅰ and Mode Ⅱ stress intensity factors(SIFs), KI,kmax(θ) and KII,kmax(θ)(0°<θ<360°), of inclined parallel multi-crack varying with relative positions(including horizontal and vertical spacings) are calculated by the complex function and integration method to analyze their interacting mechanism and determine the strengthening and weakening zone of SIFs. The multi-crack initiation criterion is established based on the ratio of maximum tension-shear SIF to predict crack initiation angle, load, and mechanism. The results show that multi-crack always initiates in Mode Ⅰ and the vertical spacing is better not to be times of half crack-length for crack-arrest, which is in good agreement with test results of the red-sandstone cube specimens with three parallel cracks under uniaxial compression. This can prove the validity of the multi-crack initiation criterion.展开更多
As the poor dispersion of oily collectors and the inferior hydrophobicity of the mineral surface, the lowrank coal has an unsatisfactory flotation performance when using traditional collectors. In this paper, an ionic...As the poor dispersion of oily collectors and the inferior hydrophobicity of the mineral surface, the lowrank coal has an unsatisfactory flotation performance when using traditional collectors. In this paper, an ionic liquid microemulsion was used as a collector to enhance its floatability. Flotation test results demonstrated the microemulsion collector exhibited a superior collecting ability. A satisfactory separation performance of 78.66% combustible material recovery was obtained with the microemulsion collector consumption of 6 kg/t, which was equivalent to the flotation performance of diesel at a dosage of25 kg/t. The dispersion behavior of the microemulsion collector was investigated using the CryogenicTransmission Electron Microscopy. The interaction mechanism of the microemulsion collector on enhancing the low-rank coal flotation was elucidated through the Zeta potential and contact angle measurements, the Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy analysis.The microemulsion collector exhibited superior dispersibility, which was dispersed into positively charged oil droplets with an average size of 160.21 nm in the pulp. Furthermore, the nano-oil droplets could be more efficiently adsorbed on the low-rank coal surface through electrostatic attraction, resulting in the improvement of its hydrophobicity. Thus, the microemulsion collector shows great application potential in improving the flotation performance of low-rank coal.展开更多
The interaction mechanism between the combustion products of pulverized coal injected and coke in the raceway of blast furnace was studied through thermodynamic calculation and experiments.The results indicated that a...The interaction mechanism between the combustion products of pulverized coal injected and coke in the raceway of blast furnace was studied through thermodynamic calculation and experiments.The results indicated that additives significantly affected the melting property of coal ash in high temperature zone.Although the unburnt char,raw coal ash,and catalyzed coal ash failed to wet the coke surface,the wettability of the catalyzed coal ash on the coke was greater than that of the raw coal ash.Since the unburnt char had weak reaction with the coke surface,it showed little influence on the surface morphology of the coke.The interaction between the raw coal ash and the coke gave rise to the increase in the pore size on the coke surface.However,the raw coal ash only affected the coke surface and the entrances of the pores owing to its poor fluidity.After being melted,the catalyzed coal ash was expected to immerge into the inside part of the coke and then react with the coke,resulting in an expansion and increase of coke cavities.The raw coal ash and the unburnt char reduced the coke reactivity,while the catalyzed coal ash improved the coke reactivity.Thereinto,the coal ash containing Fe2O3 exhibited a larger influence on the reactivity than that containing CaO.展开更多
Dissolved organic matter（DOM） is ubiquitous in the environment and has high reactivity.Once engineered nanoparticles（ENPs） are released into natural systems, interactions of DOM with ENPs may significantly affect ...Dissolved organic matter（DOM） is ubiquitous in the environment and has high reactivity.Once engineered nanoparticles（ENPs） are released into natural systems, interactions of DOM with ENPs may significantly affect the fate and transport of ENPs, as well as the bioavailability and toxicity of ENPs to organisms. However, because of the complexity of DOM and the shortage of useful characterization methods, large knowledge gaps exist in our understanding of the interactions between DOM and ENPs. In this article, we systematically reviewed the interactions between DOM and ENPs, discussed the effects of DOM on the environmental behavior of ENPs, and described the changes in bioavailability and toxicity of ENPs caused by DOM. Critical evaluations of published references suggest further need for assessing and predicting the influences of DOM on the transport,transformation, bioavailability, and toxicity of ENPs in the environment.展开更多
This review focuses on the occurrence and interactions of engineered nanoparticles(ENPs)and brominated flame retardants(BFRs)such as polybrominated diphenyl ethers(PBDEs)in water systems and the generation of highly c...This review focuses on the occurrence and interactions of engineered nanoparticles(ENPs)and brominated flame retardants(BFRs)such as polybrominated diphenyl ethers(PBDEs)in water systems and the generation of highly complex compounds in the environment.The release of ENPs and BFRs(e.g.PBDEs)to aquatic environments during their usage and disposal are summarised together with their key interaction mechanisms.The major interaction mechanisms including electrostatic,van derWaals,hydrophobic,molecular bridging and steric,hydrogen andπ-bonding,cation bridging and ligand exchange were identified.The presence of ENPs could influence the fate and behaviour of PBDEs through the interactions as well as induced reactions under certain conditions which increases the formation of complex compounds.The interaction leads to alteration of behaviour for PBDEs and their toxic effects to ecological receptors.The intermingled compound(ENPs-BFRs)would show different behaviour from the parental ENPs or BFRs,which are currently lack of investigation.This review provided insights on the interactions of ENPs and BFRs in artificial,environmental water systems and wastewater treatment plants(WWTPs),which are important for a comprehensive risk assessment.展开更多
A series of novel chalcone derivatives that contain the 1,1-dichloropropene moiety was designed and synthesized. Bioactivity assays showed that most of the target compounds exhibited moderate to good antiviral activit...A series of novel chalcone derivatives that contain the 1,1-dichloropropene moiety was designed and synthesized. Bioactivity assays showed that most of the target compounds exhibited moderate to good antiviral activity against tobacco mosaic virus（TMV） at 500 mg/m L. Among the target compounds,compound 7h showed the highest in vivo inactivation activity against TMV with the EC50 and EC90value of 45.6 and 327.5 mg/m L, respectively, which was similar to that of Ningnanmycin（46.9 and 329.4 mg/m L）and superior to that of Ribavirin（145.1 and 793.1 mg/m L）. Meanwhile, the microscale thermophoresis and fluorescence spectroscopy experiments showed that the compound 7h had a strong interaction with the tobacco mosaic virus coat protein.展开更多
In this paper, the tropical air-sea interaction is discussed by using a simple air-sea coupled model, in which the inertia-gravity waves are filtered off and only the equatorial Rossby waves are reserved in both the a...In this paper, the tropical air-sea interaction is discussed by using a simple air-sea coupled model, in which the inertia-gravity waves are filtered off and only the equatorial Rossby waves are reserved in both the atmosphere and the ocean. There exist two kinds of air-sea interaction waves in the coupled model, that is, the high-frequency fast waves and the low-frequency slow waves. The phase speed of the fast waves is westward and the frequencies are close to those of the equatorial Rossby waves in the atmosphere. The slow waves propagate westward in the part of short wavelengths and eastward in that of long wavelengths. There exist instabilities for both the westward and eastward propagating slow waves. If the fast waves are filtered off, there is little effect on the slow waves which have great influence on the long range process in the tropical air-sea coupled system. According to the tropical air-sea interaction waves we obtain here, a possible explanation to the propagating process of ENSO events is given.展开更多
The mechanism of interaction relation between the rare-earth element Ce and elements Pb and Bi in Ag-based filler metal has been studied. The results show that the compounds CePb and CeBi with high melting point can b...The mechanism of interaction relation between the rare-earth element Ce and elements Pb and Bi in Ag-based filler metal has been studied. The results show that the compounds CePb and CeBi with high melting point can be easily produced between these three elements in the filler metal, which greatly limited the formation of the isolated phase Pb or Bi and also eliminated the bad effect of impurity elements Pb and Bi on the spreading property of Ag-based filler metal. The metallurgical and quantum-mechanical bond formation analysis show that a strong chemical affinity was existed between the rare-earth element Ce and impurity elements Pb and Bi, which was proved by the XRD analysis results.展开更多
Lead(Pb) coprecipitation with jarosite is common in natural and engineered environments,such as acid mine drainage(AMD) sites and hydrometallurgical industry. Despite the high relevance for environmental impact, few s...Lead(Pb) coprecipitation with jarosite is common in natural and engineered environments,such as acid mine drainage(AMD) sites and hydrometallurgical industry. Despite the high relevance for environmental impact, few studies have examined the exact interaction of Pb with jarosite and the dissolution behavior of each phase. In the present work, we demonstrate that Pb mainly interacts with jarosite in four modes, namely incorporation, occlusion,physically mixing, and chemically mixing. For comparison, the four modes of Pb-bearing natrojarosite were synthesized and characterized separately. Batch dissolution experiments were undertaken on these synthetic Pb-bearing natrojarosites under pH_(2) to simulate the AMD environments. The introduction of Pb decreases the final Fe releasing efficiency of jarosite-type compounds from 18.18% to 3.45%-5.01%, showing a remarkable inhibition of their dissolution. For Pb releasing behavior, PbSO_(4) dissolves in preference to Pb-substituted natrojarosite, i.e.,(Na, Pb)-jarosite, which primarily results in the sharp increase of Pb releasing concentration(> 40 mg/L). PbSO_(4) occlusion by jarosite-type compounds can significantly reduce the release of Pb. The results of this study could provide useful information regarding Fe and Pb cycling in acidic natural and engineered environments.展开更多
Pulsed dielectric barrier discharge(PDBD) exhibits several applications in different fields;however,the interaction of its components with substances remains a key issue.In this study,we employed experimental and nume...Pulsed dielectric barrier discharge(PDBD) exhibits several applications in different fields;however,the interaction of its components with substances remains a key issue.In this study,we employed experimental and numerical modeling to investigate the interactions between different PDBD components and substances in pure helium and a helium-oxygen mixture.A membrane comprising a Staphylococcus aureus strain was utilized as the treatment object to demonstrate the trace actions of the evolutions and distributions of certain components on the surface of the substance.The results revealed that the shapes and sizes of the discharging area and inhibition zone differed between groups.Under a pure helium condition,a discharge layer existed along the membrane surface,lying beside the main discharging channel within the electrode area.Further,an annulus inhibition zone was formed at the outer edge of the electrode in the pure helium group at 30 s and 1 min,and this zone extended to a solid circle at 2 min with a radius that was~50% larger than that of the electrode radius.Nevertheless,the discharging channel and inhibition zone in the helium-oxygen mixture were constrained inside the electrode area without forming any annulus.A 2D symmetrical model was developed with COMSOL to simulate the spatiotemporal distributions of different particles over the membrane surface,and the result demonstrated that the main components,which formed the annulus inhibition zone under the pure helium condition,contributed to the high concentration of the He^(+)annulus that was formed at the outer edge of the electrode.Moreover,O^(+)and O_(2)^(+)were the main components that killed the bacteria under the helium-oxygen mixture conditions.These results reveal that the homogenization treatment on a material surface via PDBD is closely related to the treatment time and working gas.展开更多
Objective Shale gas is as an important kind of unconventional natural gas,with a great resource potential,and its exploration and development has attracted much attention around the world.Organic matter（OM）pores are...Objective Shale gas is as an important kind of unconventional natural gas,with a great resource potential,and its exploration and development has attracted much attention around the world.Organic matter（OM）pores are a common constituent in shales and form the dominant pore network of many shale gas systems.展开更多
In this study,we use the extended finite element method(XFEM)with a consideration of junction enrichment functions to investigate the mechanics of hydraulic fractures related to naturally cemented fractures.In the pro...In this study,we use the extended finite element method(XFEM)with a consideration of junction enrichment functions to investigate the mechanics of hydraulic fractures related to naturally cemented fractures.In the proposed numerical model,the lubrication equation is adopted to describe the fluid flow within fractures.The fluid-solid coupling systems of the hydraulic fracturing problem are solved using the Newton-Raphson method.The energy release rate criterion is used to determine the cross/arrest behavior between a hydraulic fracture(HF)and a cemented natural fracture(NF).The failure patterns and mechanisms of crack propagation at the intersection of natural fractures are discussed.Simulation results show that after crossing an NF,the failure mode along the cemented NF path may change from the tensile regime to the shear or mixed-mode regime.When an advancing HF kinks back toward the matrix,the failure mode may gradually switch back to the tensile-dominated regime.Key factors,including the length of the upper/lower portion of the cemented NF,horizontal stress anisotropy,and the intersection angle of the crack propagation are investigated in detail.An uncemented or partially cemented NF will form a more complex fracture network than a cemented NF.This study provides insight into the formation mechanism of fracture networks in formations that contain cemented NF.展开更多
The interaction mechanism and phase evolution of ammonium polyphosphate（APP）mixed with muscovite（APP/muscovite）were studied by TG,XRD and SEM,respectively,during heating.When the temperature is not higher than 300...The interaction mechanism and phase evolution of ammonium polyphosphate（APP）mixed with muscovite（APP/muscovite）were studied by TG,XRD and SEM,respectively,during heating.When the temperature is not higher than 300 ℃,muscovite has no effect on the thermaldecomposition of APP,and the initialdecomposition temperature of APP/muscovite at 283 ℃ is basically the same as the APP at 295 ℃,and the main thermaldecomposition products are polyphosphoric acid and NH_4H_2PO_4 at 300 ℃.The polyphosphoric acid,the decomposition products of APP,can enable K and Siout of muscovite and interact with muscovite chemically to generate Al_2O_3·2SiO_2,α-SiO_2 and phosphates（AlPO_4 and K_5P_3O_（10））compounds during 400 ℃-800 ℃,which own obvious adhesive phenomenon and porous structure with the apparent porosity of 58.4%.Further reactions between phosphates other than reactions among Al_2O_3·2SiO_2 and α-SiO_2 can generate KAlP_2O_7 at 1 000 ℃ and the density of residualproduct is improved by low melting point phosphate filling pore to form relatively dense structure and decrease the apparent porosity to 44.4%.The flame resistant and self-supported ceramic materials are expected to enhance the fire-retarding synergistic effect between APP and muscovite.展开更多
Human immunodeficiency virus(HIV) and tuberculosis(TB) coinfection is a serious public health problem. HIV and TB promote each other, accelerating development of HIV to acquired immunodeficiency syndrome(AIDS) and hei...Human immunodeficiency virus(HIV) and tuberculosis(TB) coinfection is a serious public health problem. HIV and TB promote each other, accelerating development of HIV to acquired immunodeficiency syndrome(AIDS) and heightening TB mortality. Determining interaction mechanism between HIV and Mycobacterium tuberculosis can lead to development of effective treatments. This study summarizes prevalence status of AIDS and TB coinfection and research advances concerning their interaction mechanism.展开更多
Carboxylmethyl cellulose(CMC) has become a commercial organic binder in agglomeration of iron ore concentrates. The relative molecular mass and degree of substitution(DS) of CMC have a large impact on its binding perf...Carboxylmethyl cellulose(CMC) has become a commercial organic binder in agglomeration of iron ore concentrates. The relative molecular mass and degree of substitution(DS) of CMC have a large impact on its binding performance. The interaction mechanism between CMC and iron ore particles was analyzed through Zeta potential measurements, adsorption measurements and infrared spectra. The results show that the interaction is chemical adsorption-oriented and the CMC's adsorption performance is related to the properties of CMC as well as the type of iron oxides. CMC has a greater affinity to Fe2O3 than Fe3O4, and CMC with higher relative molecular mass shows a higher adsorption isotherm. Pelletization of practical iron ore concentrates added with CMC further illustrates that CMC with higher relative molecular mass or DS exhibits a better binding performance, which is consistent with the results of adsorption tests.展开更多
The microstructural evolution of C-（A）-S-H gel in Portland cement pastes immersed in pure water and 5.0 wt% Na2SO4 solution for different ages was comparatively investigated, by means of ^（29） Si NMR spectroscopy,...The microstructural evolution of C-（A）-S-H gel in Portland cement pastes immersed in pure water and 5.0 wt% Na2SO4 solution for different ages was comparatively investigated, by means of ^（29） Si NMR spectroscopy, and SEM-EDS analysis. Additionally, molecular dynamics simulation was performed to study the aluminum coordination status and interaction of sulfate ions in C-（A）-S-H gel. The results showed significant changes in the microstructural evolution of C-（A）-S-H gel in Portland cement paste. Sulfate attack has decalcifying and dealuminizing effect on C-（A）-S-H gel which is evident from increase in mean chain length（MCL） and decrease in Ca/Si ＆ Al[4]/Si ratios of C-（A）-S-H gel. Additionally, Molecular dynamics simulation proves that Al[4] substituted in silicate chains of C-（A）-S-H gel is thermodynamically metastable, which may explain its migration from the silicate chains and transformation to Al[6], thus lowering the Al[4]/Si ratio of C-（A）-S-H gel. SO4^（2-）ions can carry the interfacial Ca^（2＋） ions into the pore solution by the diffusion-absorption-desorption process, which unravels the mechanism of sulfate attack on C-（A）-S-H gel.展开更多
基金Supported by Joint Research Fund from National Natural Science Foundation of China(NSFC)-Yunnan Province(U0933601)Students Research Fund from Southwest Forestry University(1001)~~
文摘[Objective]This study was to reveal the essence of mechanism about how the alien invasive plants spread.[Method]Species niche and material/energy flow were used as basic research indicators to analyze the intrinsic mechanism of alien plants invasion.[Result]Most of the invasive plants have not been explicitly defined and their effective control methods not brought forward.[Conclusion]Overrun of alien invasive plants depends on whether the niche of a species could be continuously met at spatial level.Based on this we put forward corresponding control measures,proposed an assumption to establish a cylinder-network model and discussed the definition of alien invasive plants.
基金supported by SmartForming Research Base,Imperial College London,UK.
文摘The accurate representation of tribological boundary conditions at the tool–workpiece interface is crucial for analysis and optimization of formability,material flow,and surface quality of components during metal forming processes.It has been found that these tribological conditions vary spatially and historically with process parameters and contact conditions.These time-dependent tribological behaviours are also known as transient tribological phenomena,which are widely observed during forming processes and many other manufacturing application scenarios.However,constant friction values are usually assigned to represent complex and dynamic interfacial conditions,which would introduce deviations in the relevant predictions.In this paper,transient tribological phenomena and the contemporary understanding of the interaction between friction and wear are reviewed,and it has been found that these phenomena are induced by the transitions of friction mechanisms and highly dependent on complex loading conditions at the interface.Friction modelling techniques for transient behaviours for metal forming applications are also reviewed.To accurately describe the evolutionary friction values and corresponding wear during forming,the advanced interactive friction modelling has been established for different application scenarios,including lubricated condition,dry sliding condition(metal-on-metal contact),and coated system.
基金supported by National Natural Science Foundation of China(32201752)Xinjiang Tianchi Talents Program (TCYC2023TP02)Key Project of the Natural Science Foundation of Xinjiang Production and Construction Corps (2024DA001)
文摘Verticillium wilt,caused by the infamous pathogen Verticillium dahliae,presents a primary constraint on cotton cul-tivation worldwide.The complexity of disease resistance in cotton and the largely unexplored interaction dynamics between the cotton plant host and V.dahliae pathogen pose a crucial predicament for effectively managing cotton Verticillium wilt.Nevertheless,the most cost-effective approach to controlling this disease involves breeding and cul-tivating resistant cotton varieties,demanding a meticulous analysis of the mechanisms underlying cotton’s resistance to Verticillium wilt and the identification of pivotal genes.These aspects constitute focal points in disease-resistance breeding programs.In this review,we comprehensively discuss genetic inheritance associated with Verticillium wilt resistance in cotton,the advancements in molecular markers for disease resistance,the functional investiga-tion of resistance genes in cotton,the analysis of pathogenicity genes in V.dahliae,as well as the intricate interplay between cotton and this fungus.Moreover,we delve into the future prospects of cutting-edge research on cotton Verticillium wilt,aiming to proffer valuable insights for the effective management of this devastating fungus.
基金Project(51104185)supported by the National Natural Science Foundation of ChinaProject(2010QZZD003)supported by the Key Project of Central South University of Fundamental Research Funds for the Central Universities of China
文摘In order to explore the effect mechanism of solvent on the synthesis of the metal organic framework materials, the microscopic interaction between solvent and framework and the effects of N,N-dimethyl-formamide(DMF) or N-methyl- 2-pyrrolidone(NMP) on solvothermal synthesis of [Zn4O(BDC)3]8 were investigated through a combined DFT and experimental study. XRD and SEM showed that the absorbability of NMP in the pore of [Zn4O(BDC)3]8 was weaker than that of DMF. The thermal decomposition temperature of [Zn4O(BDC)3]8 synthesized in DMF was higher than that in NMP according to TG and FT-IR. In addition, the nitrogen sorption isotherms indicated that NMP improved gas sorption property of [Zn4O(BDC)3]8. The COSMO optimized calculations indicated that the total energy of Zn4O(BDC)3 in NMP was higher than that in DMF, and compared with non-solvent system, the charge of zinc atoms decreased and the charge value was the smallest in NMP. Furthermore, the interaction of DMF, NMP or DEF in [Zn4O(BDC)3]8 crystal model was calculated by DFT method. The results suggested that NMP should be easier to be removed from pore of materials than DMF from the point of view of energy state. It can be concluded that NMP was a favorable solvent to synthesize [Zn4O(BDC)3]8 and the microscopic mechanism was that the binding force between Zn4O(BDC)3 and NMP molecule was weaker than DMF.
基金The authors are grateful for the financial supports from the National Natural Science Foundation of China(51874351,51474251)Hunan Provincial Innovation Foundation For Postgraduate,China(CX2018B047)the Open Sharing Fund for the Large-scale Instruments and Equipments of Central South University,China(CSUZC201923).
文摘The maximum Mode Ⅰ and Mode Ⅱ stress intensity factors(SIFs), KI,kmax(θ) and KII,kmax(θ)(0°<θ<360°), of inclined parallel multi-crack varying with relative positions(including horizontal and vertical spacings) are calculated by the complex function and integration method to analyze their interacting mechanism and determine the strengthening and weakening zone of SIFs. The multi-crack initiation criterion is established based on the ratio of maximum tension-shear SIF to predict crack initiation angle, load, and mechanism. The results show that multi-crack always initiates in Mode Ⅰ and the vertical spacing is better not to be times of half crack-length for crack-arrest, which is in good agreement with test results of the red-sandstone cube specimens with three parallel cracks under uniaxial compression. This can prove the validity of the multi-crack initiation criterion.
基金financially supported by the National Key Research and Development Program of China (No. 2020YFC1908801)the National Natural Science Foundation of China (No. 52204287)+1 种基金the National Natural Science Foundation of China (No. 52004250)the Key R&D and Promotion Projects in Henan Province (No. 212102310009)。
文摘As the poor dispersion of oily collectors and the inferior hydrophobicity of the mineral surface, the lowrank coal has an unsatisfactory flotation performance when using traditional collectors. In this paper, an ionic liquid microemulsion was used as a collector to enhance its floatability. Flotation test results demonstrated the microemulsion collector exhibited a superior collecting ability. A satisfactory separation performance of 78.66% combustible material recovery was obtained with the microemulsion collector consumption of 6 kg/t, which was equivalent to the flotation performance of diesel at a dosage of25 kg/t. The dispersion behavior of the microemulsion collector was investigated using the CryogenicTransmission Electron Microscopy. The interaction mechanism of the microemulsion collector on enhancing the low-rank coal flotation was elucidated through the Zeta potential and contact angle measurements, the Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy analysis.The microemulsion collector exhibited superior dispersibility, which was dispersed into positively charged oil droplets with an average size of 160.21 nm in the pulp. Furthermore, the nano-oil droplets could be more efficiently adsorbed on the low-rank coal surface through electrostatic attraction, resulting in the improvement of its hydrophobicity. Thus, the microemulsion collector shows great application potential in improving the flotation performance of low-rank coal.
基金financially supported by the National Natural Science Foundation of China (No.51374166, 51574189)the Natural Science Foundation Research Project of Shaanxi,China(No.2016JQ5041)the Shaanxi Province Department of Education Fund, China(No.16JK1450)
文摘The interaction mechanism between the combustion products of pulverized coal injected and coke in the raceway of blast furnace was studied through thermodynamic calculation and experiments.The results indicated that additives significantly affected the melting property of coal ash in high temperature zone.Although the unburnt char,raw coal ash,and catalyzed coal ash failed to wet the coke surface,the wettability of the catalyzed coal ash on the coke was greater than that of the raw coal ash.Since the unburnt char had weak reaction with the coke surface,it showed little influence on the surface morphology of the coke.The interaction between the raw coal ash and the coke gave rise to the increase in the pore size on the coke surface.However,the raw coal ash only affected the coke surface and the entrances of the pores owing to its poor fluidity.After being melted,the catalyzed coal ash was expected to immerge into the inside part of the coke and then react with the coke,resulting in an expansion and increase of coke cavities.The raw coal ash and the unburnt char reduced the coke reactivity,while the catalyzed coal ash improved the coke reactivity.Thereinto,the coal ash containing Fe2O3 exhibited a larger influence on the reactivity than that containing CaO.
基金supported by the National Key Research and Development Program of China (2016YFA0203102)the National Natural Science Foundation of China (Nos. 21227012, 21337004, 21507147)
文摘Dissolved organic matter（DOM） is ubiquitous in the environment and has high reactivity.Once engineered nanoparticles（ENPs） are released into natural systems, interactions of DOM with ENPs may significantly affect the fate and transport of ENPs, as well as the bioavailability and toxicity of ENPs to organisms. However, because of the complexity of DOM and the shortage of useful characterization methods, large knowledge gaps exist in our understanding of the interactions between DOM and ENPs. In this article, we systematically reviewed the interactions between DOM and ENPs, discussed the effects of DOM on the environmental behavior of ENPs, and described the changes in bioavailability and toxicity of ENPs caused by DOM. Critical evaluations of published references suggest further need for assessing and predicting the influences of DOM on the transport,transformation, bioavailability, and toxicity of ENPs in the environment.
文摘This review focuses on the occurrence and interactions of engineered nanoparticles(ENPs)and brominated flame retardants(BFRs)such as polybrominated diphenyl ethers(PBDEs)in water systems and the generation of highly complex compounds in the environment.The release of ENPs and BFRs(e.g.PBDEs)to aquatic environments during their usage and disposal are summarised together with their key interaction mechanisms.The major interaction mechanisms including electrostatic,van derWaals,hydrophobic,molecular bridging and steric,hydrogen andπ-bonding,cation bridging and ligand exchange were identified.The presence of ENPs could influence the fate and behaviour of PBDEs through the interactions as well as induced reactions under certain conditions which increases the formation of complex compounds.The interaction leads to alteration of behaviour for PBDEs and their toxic effects to ecological receptors.The intermingled compound(ENPs-BFRs)would show different behaviour from the parental ENPs or BFRs,which are currently lack of investigation.This review provided insights on the interactions of ENPs and BFRs in artificial,environmental water systems and wastewater treatment plants(WWTPs),which are important for a comprehensive risk assessment.
基金supported by the National Natural Science Foundation of China(Nos.21362004,21562013)Subsidy Project for Outstanding Key Laboratory of Guizhou Province in China(20154004)
文摘A series of novel chalcone derivatives that contain the 1,1-dichloropropene moiety was designed and synthesized. Bioactivity assays showed that most of the target compounds exhibited moderate to good antiviral activity against tobacco mosaic virus（TMV） at 500 mg/m L. Among the target compounds,compound 7h showed the highest in vivo inactivation activity against TMV with the EC50 and EC90value of 45.6 and 327.5 mg/m L, respectively, which was similar to that of Ningnanmycin（46.9 and 329.4 mg/m L）and superior to that of Ribavirin（145.1 and 793.1 mg/m L）. Meanwhile, the microscale thermophoresis and fluorescence spectroscopy experiments showed that the compound 7h had a strong interaction with the tobacco mosaic virus coat protein.
文摘In this paper, the tropical air-sea interaction is discussed by using a simple air-sea coupled model, in which the inertia-gravity waves are filtered off and only the equatorial Rossby waves are reserved in both the atmosphere and the ocean. There exist two kinds of air-sea interaction waves in the coupled model, that is, the high-frequency fast waves and the low-frequency slow waves. The phase speed of the fast waves is westward and the frequencies are close to those of the equatorial Rossby waves in the atmosphere. The slow waves propagate westward in the part of short wavelengths and eastward in that of long wavelengths. There exist instabilities for both the westward and eastward propagating slow waves. If the fast waves are filtered off, there is little effect on the slow waves which have great influence on the long range process in the tropical air-sea coupled system. According to the tropical air-sea interaction waves we obtain here, a possible explanation to the propagating process of ENSO events is given.
文摘The mechanism of interaction relation between the rare-earth element Ce and elements Pb and Bi in Ag-based filler metal has been studied. The results show that the compounds CePb and CeBi with high melting point can be easily produced between these three elements in the filler metal, which greatly limited the formation of the isolated phase Pb or Bi and also eliminated the bad effect of impurity elements Pb and Bi on the spreading property of Ag-based filler metal. The metallurgical and quantum-mechanical bond formation analysis show that a strong chemical affinity was existed between the rare-earth element Ce and impurity elements Pb and Bi, which was proved by the XRD analysis results.
基金supported by the National Natural Science Foundation of China for Distinguished Young Scholars (No. 51825403)the National Natural Science Foundation of China (No. 51904355)the National Key R&D Program of China (No. 2020YFC1909201)。
文摘Lead(Pb) coprecipitation with jarosite is common in natural and engineered environments,such as acid mine drainage(AMD) sites and hydrometallurgical industry. Despite the high relevance for environmental impact, few studies have examined the exact interaction of Pb with jarosite and the dissolution behavior of each phase. In the present work, we demonstrate that Pb mainly interacts with jarosite in four modes, namely incorporation, occlusion,physically mixing, and chemically mixing. For comparison, the four modes of Pb-bearing natrojarosite were synthesized and characterized separately. Batch dissolution experiments were undertaken on these synthetic Pb-bearing natrojarosites under pH_(2) to simulate the AMD environments. The introduction of Pb decreases the final Fe releasing efficiency of jarosite-type compounds from 18.18% to 3.45%-5.01%, showing a remarkable inhibition of their dissolution. For Pb releasing behavior, PbSO_(4) dissolves in preference to Pb-substituted natrojarosite, i.e.,(Na, Pb)-jarosite, which primarily results in the sharp increase of Pb releasing concentration(> 40 mg/L). PbSO_(4) occlusion by jarosite-type compounds can significantly reduce the release of Pb. The results of this study could provide useful information regarding Fe and Pb cycling in acidic natural and engineered environments.
基金supported by National Natural Science Foundation of China(No.51907076)the Interdisciplinary Fund of the Wuhan National High Magnetic Field Center(No.WHMFC202101)
文摘Pulsed dielectric barrier discharge(PDBD) exhibits several applications in different fields;however,the interaction of its components with substances remains a key issue.In this study,we employed experimental and numerical modeling to investigate the interactions between different PDBD components and substances in pure helium and a helium-oxygen mixture.A membrane comprising a Staphylococcus aureus strain was utilized as the treatment object to demonstrate the trace actions of the evolutions and distributions of certain components on the surface of the substance.The results revealed that the shapes and sizes of the discharging area and inhibition zone differed between groups.Under a pure helium condition,a discharge layer existed along the membrane surface,lying beside the main discharging channel within the electrode area.Further,an annulus inhibition zone was formed at the outer edge of the electrode in the pure helium group at 30 s and 1 min,and this zone extended to a solid circle at 2 min with a radius that was~50% larger than that of the electrode radius.Nevertheless,the discharging channel and inhibition zone in the helium-oxygen mixture were constrained inside the electrode area without forming any annulus.A 2D symmetrical model was developed with COMSOL to simulate the spatiotemporal distributions of different particles over the membrane surface,and the result demonstrated that the main components,which formed the annulus inhibition zone under the pure helium condition,contributed to the high concentration of the He^(+)annulus that was formed at the outer edge of the electrode.Moreover,O^(+)and O_(2)^(+)were the main components that killed the bacteria under the helium-oxygen mixture conditions.These results reveal that the homogenization treatment on a material surface via PDBD is closely related to the treatment time and working gas.
基金supported by the National Natural Science Foundation of China(grant No.41202103)China Postdoctoral Science Foundation(grant No. 2016M591350)
文摘Objective Shale gas is as an important kind of unconventional natural gas,with a great resource potential,and its exploration and development has attracted much attention around the world.Organic matter（OM）pores are a common constituent in shales and form the dominant pore network of many shale gas systems.
基金financially supported by the National Science Foundation of China(Grant Nos.51804033 and 51936001)Natural Science Foundation of Jiangsu Province(Grant No.BK20170457)+3 种基金Program of Great Wall Scholar(Grant No.CIT&TCD20180313)Jointly Projects of Beijing Natural Science FoundationBeijing Municipal Education Commission(Grant No.KZ201810017023)Beijing Youth Talent Support Program(CIT&TCD201804037).
文摘In this study,we use the extended finite element method(XFEM)with a consideration of junction enrichment functions to investigate the mechanics of hydraulic fractures related to naturally cemented fractures.In the proposed numerical model,the lubrication equation is adopted to describe the fluid flow within fractures.The fluid-solid coupling systems of the hydraulic fracturing problem are solved using the Newton-Raphson method.The energy release rate criterion is used to determine the cross/arrest behavior between a hydraulic fracture(HF)and a cemented natural fracture(NF).The failure patterns and mechanisms of crack propagation at the intersection of natural fractures are discussed.Simulation results show that after crossing an NF,the failure mode along the cemented NF path may change from the tensile regime to the shear or mixed-mode regime.When an advancing HF kinks back toward the matrix,the failure mode may gradually switch back to the tensile-dominated regime.Key factors,including the length of the upper/lower portion of the cemented NF,horizontal stress anisotropy,and the intersection angle of the crack propagation are investigated in detail.An uncemented or partially cemented NF will form a more complex fracture network than a cemented NF.This study provides insight into the formation mechanism of fracture networks in formations that contain cemented NF.
基金Funded by the National Natural Science Foundation of China(No.51472188)
文摘The interaction mechanism and phase evolution of ammonium polyphosphate（APP）mixed with muscovite（APP/muscovite）were studied by TG,XRD and SEM,respectively,during heating.When the temperature is not higher than 300 ℃,muscovite has no effect on the thermaldecomposition of APP,and the initialdecomposition temperature of APP/muscovite at 283 ℃ is basically the same as the APP at 295 ℃,and the main thermaldecomposition products are polyphosphoric acid and NH_4H_2PO_4 at 300 ℃.The polyphosphoric acid,the decomposition products of APP,can enable K and Siout of muscovite and interact with muscovite chemically to generate Al_2O_3·2SiO_2,α-SiO_2 and phosphates（AlPO_4 and K_5P_3O_（10））compounds during 400 ℃-800 ℃,which own obvious adhesive phenomenon and porous structure with the apparent porosity of 58.4%.Further reactions between phosphates other than reactions among Al_2O_3·2SiO_2 and α-SiO_2 can generate KAlP_2O_7 at 1 000 ℃ and the density of residualproduct is improved by low melting point phosphate filling pore to form relatively dense structure and decrease the apparent porosity to 44.4%.The flame resistant and self-supported ceramic materials are expected to enhance the fire-retarding synergistic effect between APP and muscovite.
文摘Human immunodeficiency virus(HIV) and tuberculosis(TB) coinfection is a serious public health problem. HIV and TB promote each other, accelerating development of HIV to acquired immunodeficiency syndrome(AIDS) and heightening TB mortality. Determining interaction mechanism between HIV and Mycobacterium tuberculosis can lead to development of effective treatments. This study summarizes prevalence status of AIDS and TB coinfection and research advances concerning their interaction mechanism.
基金Project(2012zzts101)supported by the Fundamental Research Funds for the Central Universities,China
文摘Carboxylmethyl cellulose(CMC) has become a commercial organic binder in agglomeration of iron ore concentrates. The relative molecular mass and degree of substitution(DS) of CMC have a large impact on its binding performance. The interaction mechanism between CMC and iron ore particles was analyzed through Zeta potential measurements, adsorption measurements and infrared spectra. The results show that the interaction is chemical adsorption-oriented and the CMC's adsorption performance is related to the properties of CMC as well as the type of iron oxides. CMC has a greater affinity to Fe2O3 than Fe3O4, and CMC with higher relative molecular mass shows a higher adsorption isotherm. Pelletization of practical iron ore concentrates added with CMC further illustrates that CMC with higher relative molecular mass or DS exhibits a better binding performance, which is consistent with the results of adsorption tests.
基金Funded by National Natural Science Foundation of China(Nos.51778513,51578004,51608004)the Major State Basic Research Development Program of China("973"Program)(No.2015CB655101)
文摘The microstructural evolution of C-（A）-S-H gel in Portland cement pastes immersed in pure water and 5.0 wt% Na2SO4 solution for different ages was comparatively investigated, by means of ^（29） Si NMR spectroscopy, and SEM-EDS analysis. Additionally, molecular dynamics simulation was performed to study the aluminum coordination status and interaction of sulfate ions in C-（A）-S-H gel. The results showed significant changes in the microstructural evolution of C-（A）-S-H gel in Portland cement paste. Sulfate attack has decalcifying and dealuminizing effect on C-（A）-S-H gel which is evident from increase in mean chain length（MCL） and decrease in Ca/Si ＆ Al[4]/Si ratios of C-（A）-S-H gel. Additionally, Molecular dynamics simulation proves that Al[4] substituted in silicate chains of C-（A）-S-H gel is thermodynamically metastable, which may explain its migration from the silicate chains and transformation to Al[6], thus lowering the Al[4]/Si ratio of C-（A）-S-H gel. SO4^（2-）ions can carry the interfacial Ca^（2＋） ions into the pore solution by the diffusion-absorption-desorption process, which unravels the mechanism of sulfate attack on C-（A）-S-H gel.
