Permeability is a key parameter for coalbed methane development.Although the absolute permeability of coal has been extensively studied,wettability and pore structure properties continue to challenge the microscopic d...Permeability is a key parameter for coalbed methane development.Although the absolute permeability of coal has been extensively studied,wettability and pore structure properties continue to challenge the microscopic description of water-gas flow in coal.For this purpose,we reconstructed the microstructures of low-rank coal using micro-computed tomography(micro-CT)images.Pore geometry and pore-throat parameters are introduced to establish a relationship with absolute permeability.A dual-porosity pore network model is developed to study water-gas displacement under different wetting and pore structure properties.Results show that absolute permeability is significantly affected by pore geometry and can be described using a binary quadratic function of porosity and fractal dimension.Water-gas relative permeability varies significantly and the residual gas saturation is lower;the crossover saturation first decreased and then increased with increasing porosity under hydrophobic conditions.While the water relative permeability is lower and a certain amount of gas is trapped in complex pore-throat networks;the crossover saturation is higher under hydrophilic conditions.Models with large percolating porosity and well-developed pore networks have high displacement efficiency due to low capillary resistance and avoidance of trapping.This work provides a systematic description of absolute permeability and water-gas relative permeability in coal microstructure for enhanced gas recovery.展开更多
We investigate the electronic structures of FeSe in the presence of different possible orders and spin-orbit coupling （SOC）. It is found that only the ferro-orbital order （FO） and the collinear antiferro-magnetism...We investigate the electronic structures of FeSe in the presence of different possible orders and spin-orbit coupling （SOC）. It is found that only the ferro-orbital order （FO） and the collinear antiferro-magnetism （C-AFM） can simultaneously induce splittings at F and M. Bicollinear antiferro-magnetism （B-AFM） and SOC have very similar band structures on F-M near the Fermi level. The temperature T insensitive splitting at F and the T-dependent splitting at M observed in recent experiments can be explained by the d-wave bond nematic （dBN） order together with SOC. The recent observed Dirac cones and their T-dependence in FeSe thin films can also be well explained by the dBN order together with the band renormMization. Their thickness- and cobalt-doping- dependent behaviors are the consequences of electron doping and reduction of Se height. All these suggest that the nematic order in the FeSe system is the dBN order.展开更多
[Objectives] This study was conducted to investigate the feasibility of using modified peanut dietary fiber as a functional food ingredient. [Methods]Using peanut shells as a test material,the process parameters of so...[Objectives] This study was conducted to investigate the feasibility of using modified peanut dietary fiber as a functional food ingredient. [Methods]Using peanut shells as a test material,the process parameters of soluble dietary fiber( SDF) modified by extrusion and expansion were studied,and the functional and structural characteristics of SDF before and after modification were discussed. [Results] The optimum conditions were as follows: screw speed 200 rpm,temperature 130 ℃ and moisture content 20 %,and the SDF extraction yield was 22. 3%. The modified SDF showed BCmax values of( 378. 5 ± 5. 3),( 278. 3 ± 3. 2)and( 167. 2 ± 2. 5) μmol/g and BCmin of( 30. 4 ± 1. 3),( 63. 4 ± 3. 7) and( 71. 3 ± 4. 2) μmol/L,for Pb,As and Cu,respectively,indicating that the adsorption to the three heavy metals was enhanced. The modified SDF had a porous network like honeycomb and swelled structure. [Conclusions]Therefore,it is feasible to modify SDF by extrusion and expansion.展开更多
The traditional high-temperature preparation process of polyimide can cause many problems and limits the wider application in extreme conditions.An important challenge to be solved urgently is the reduction of imidiza...The traditional high-temperature preparation process of polyimide can cause many problems and limits the wider application in extreme conditions.An important challenge to be solved urgently is the reduction of imidization temperature.In this work,twelve kinds of polyimide films with different chain rigidity were prepared at low temperature of 200℃,in the absence or presence of imidazole used as the catalyst.The molecular rigidity and free volume were theoretically calculated,and relationship between structure and properties were systematically studied.The results show that imidization reaction under low temperatures is significantly affected by the rigidity of molecula r chains.The rigid structure of polyimide is not conducive to the low-temperature imidization,but this adverse effect can be eliminated by adding catalyst,resulting the notably increased imidization degree.The optical and thermal properties can be improved to a certain extent for the chemically catalyzed system,resulting in relatively higher heat resistance and thermal stability.While the mechanical performance could be determined by com plicating factors,greatly different from polyimide films prepa red by high temperature method.To investigate aggregation structures of film s,the effect of chain rigidity and catalyst on the stacking or orientation of molecular chains was further elaborated.This wo rk can contribute to the understanding of chemically catalyzed imidization that is rarely reported in the existing research,and will provide guidance for the low-temperature preparation of high-performance polyimides.展开更多
Cyclo[18]carbon has received considerable attention thanks to its novel geometric configuration and special electronic structure.Superalkalis have low ionization energy.Doping a superalkali in cyclo[18]carbon is an ef...Cyclo[18]carbon has received considerable attention thanks to its novel geometric configuration and special electronic structure.Superalkalis have low ionization energy.Doping a superalkali in cyclo[18]carbon is an effective method to improve the optical properties of the system because considerable electron transfer occurs.In this paper,the geometry,bonding properties,electronic structure,absorption spectrum,and nonlinear optical(NLO)properties of superalkaline M_(3)O(M=Li,Na)-doped cyclo[18]carbon were studied by using density functional theory.M_(3)O and the C_(18) rings are not coplanar.The C_(18) ring still exhibits alternating long and short bonds.The charge transfer between M_(3)O and C_(18) forms stable[M_(3)O]+[C_(18)]-ionic complexes.C_(18)M_(3)O(M=Li,Na)shows striking optical nonlinearity,i.e.,their first-and second-order hyperpolarizability(βvec andγ||)increase considerably atλ=1907 nm and 1460 nm.展开更多
In this research work,sol-gel technique was employed to prepare the strontium based spinel ferrite nanoparticles(SrFe_(2)O_(4))with different ratios of terbium(Tb).Different characterization techniques were used to in...In this research work,sol-gel technique was employed to prepare the strontium based spinel ferrite nanoparticles(SrFe_(2)O_(4))with different ratios of terbium(Tb).Different characterization techniques were used to investigate the structural,morphological,dielectric and magnetic properties of the prepared samples.X-ray diffraction(XRD)result suggests that face-centered cube spinel nanocrystalline structure is formed.Crystallite size of the SrFe_(2)O_(4)decreases with rising of Tb ratio.The morphology,shape and size of the SrFe_(2)O_(4)were examined by scanning electron microscopy(SEM)analysis and results reveal inhomogeneous distributions of the nanostructures with high agglomeration.The electrical resistivity of the SrFe_(2)O_(4)increases with rising of Tb ratio,which is confirmed from the cyclic voltammetry.It is observed that dielectric constant of all the samples decreases with the increasing frequency range.It is determined that the dielectric constants of the spinel ferrites are frequency dependent and decrease with increasing the frequency of applied electric field.The magnetic behavior of SrFe_(2)O_(4)with different ratios of Tb was studied and it is found that the saturation magnetization values of samples decrease with increase in the substitution of Tb^(3+)at octahedral sites for Fe^(3+).This decrease in the values of M_(s) is also attributed to spin at surface of nanoparticles.展开更多
In this study,the casting process is used to fabricate modified polyvinyl alcohol(PVA),starch(S),and carboxymethyl cellulose(CMC)polymer blend films(PVA/S/CMC)loaded with various concentrations of irondoped carbon qua...In this study,the casting process is used to fabricate modified polyvinyl alcohol(PVA),starch(S),and carboxymethyl cellulose(CMC)polymer blend films(PVA/S/CMC)loaded with various concentrations of irondoped carbon quantum dots(Fe-CQDs)and denoted as(PVA/S/CMC@Fe-CQDs).A one-step microwave strategy was employed as a facile method to prepare Fe-CQDs.Through a series of characterization techniques,fourier-transform infrared(FTIR)spectroscopy,x-ray diffraction(XRD)analysis,and scanning electron microscopy(SEM)have been used to show the successful integration of Fe-CQDs into the PVA/S/CMCmatrix.Loading the synthesized Fe-CQDs to the polymeric matrix significantly enhanced the mechanical properties of the films represented in the tensile strength,Young’s modulus,and hardness.However,the elongation decreased noticeably upon increasing the iron-doped carbon dots.The surface wettability was also studied by measuring the contact angle of the prepared films.The findings showed a noticeable elevation in these measurements by increasing the Fe-CQDs content,declaring the role of a hydrophobic character in these nanoparticles when introduced into a hydrophilic polymeric system.The dielectric characteristics of the reinforced polymer composite films were evaluated.These results revealed that the ac-conductivity of the investigated films was boosted with increasing Fe-CQDs’ratio and frequency.The PVA/S/CMC@Fe-CQDs films possess substantial potential for efficient energy storage applications.展开更多
(Mg,Fe)SiO_(3) is primarily located in the mantle and has a substantial impact on geophysical and geochemical processes.Here,we employ molecular dynamics simulations to investigate the structural and transport propert...(Mg,Fe)SiO_(3) is primarily located in the mantle and has a substantial impact on geophysical and geochemical processes.Here,we employ molecular dynamics simulations to investigate the structural and transport properties of(Mg,Fe)SiO_(3) with varying iron contents at temperatures up to 5000 K and pressures up to 135 GPa.We thoroughly examine the effects of pressure,temperature,and iron content on the bond lengths,coordination numbers,viscosities,and electrical conductivities of(Mg,Fe)SiO_(3).Our calculations indicate that the increase of pressure leads to the shortening of the O-O and Mg-O bond lengths,while the Si-O bond lengths exhibit the initial increase with pressure up to 40 GPa,after which they are almost unchanged.The coordination numbers of Si transition from four-fold to six-fold and eventually reach eight-fold coordination at 135 GPa.The enhanced pressure causes the decrease of the diffusion coefficients and the increase of the viscosities of(Mg,Fe)SiO_(3).The increased temperatures slightly decrease the coordination numbers and viscosities,as well as obviously increase the diffusion coefficients and electrical conductivities of(Mg,Fe)SiO_(3).Additionally,iron doping facilitates the diffusion of Si and O,reduces the viscosities,and enhances the electrical conductivities of(Mg,Fe)SiO_(3).These findings advance fundamental understanding of the structural and transport properties of(Mg,Fe)SiO_(3) under high temperature and high pressure,which provide novel insights for unraveling the complexities of geological processes within the Earth's mantle.展开更多
To explore high value-added utilization pathways of fly ash,the mesoporous structure of silicon dioxide extracted from fly ash(FA-SiO_(2))was utilized to restrict the dicyandiamide(DCDA)thermal degradation process.Thi...To explore high value-added utilization pathways of fly ash,the mesoporous structure of silicon dioxide extracted from fly ash(FA-SiO_(2))was utilized to restrict the dicyandiamide(DCDA)thermal degradation process.This produced chemically bonded interacting composite photocatalysts of FA-SiO,and graphitic-phase carbon nitride(g-C_(3)N_(4)).Compared with the spherical silicon dioxide prepared using tetraethyl orthosilicate(TEOS-SiO_(2)),the mesoporous structure of FA-SiO_(2),allowed DCDA to react in a smaller space,which facilitated the transformation of DCDA to melamine by the thermal degradation kinetics of FA-C_(3)N_(4)/DCDA.This ultimately boosted the formation of an N-atom-removed triazine ring structure and a multistage structure combining lumps and rods in the composite photocatalysts of g-C_(3)N_(4),and FA-SiO_(2),which led to a higher visible-light utilization efficiency,a suitable valence-band position,and the photocatalytic activity for methylene blue reaching 3.56 times that of g-C_(3)N_(4).The findings indicate that mesoporous FA-SiO,has the potential to improve the structural and photocatalytic properties of g-C_(3)N_(4),-based materials.展开更多
A new Cd~Ⅱ coordination complex,namely [Cd（iba）_2]_n（1）,was prepared by the hydrothermal reaction of Cd（NO_3）_2·4H_2O with 4-imidazol-1-yl-benzoic acid（Hiba）. Single-crystal X-ray diffraction analysis sh...A new Cd~Ⅱ coordination complex,namely [Cd（iba）_2]_n（1）,was prepared by the hydrothermal reaction of Cd（NO_3）_2·4H_2O with 4-imidazol-1-yl-benzoic acid（Hiba）. Single-crystal X-ray diffraction analysis shows that compound 1 crystallizes in monoclinic system,space group Cc with a = 11.403（4）,b = 30.480（9）,c = 7.732（3） ？,β = 130.189（4）o,V = 2503.0（1） ？~3,Z = 4,C_（22）H_（18）CdN_4O_4,Mr = 514.80,Dc = 1.666 g/cm^3,F（000） = 1032 and μ（Mo Kα） = 1.101 mm-1. The final R and wR are 0.0573 and 0.1823 for 4421 observed reflections with I 〉 2σ（I）. Each iba-ligand coordinates in a bidentate fashion,connecting the Cd（Ⅱ） atoms to form a 2D wave-shape layer structure,which can be simplified as a four-connected topological net. Interestingly,the 2D layers are further extended into a 3-fold interpenetrating 3D architecture. Compound 1 displays an emissive maximum at 455 nm in the solid state at room temperature and a response of the second harmonic generation（SHG） activity is approximately 0.8 times that of KDP.展开更多
Influence of aluminum addition on the structures and properties of SiO_2-B_2O_3-Al_2O_3-CaO vitrified bond at low sintering temperature and high strength was discussed. FTIR and XRD analyses were used to characterize ...Influence of aluminum addition on the structures and properties of SiO_2-B_2O_3-Al_2O_3-CaO vitrified bond at low sintering temperature and high strength was discussed. FTIR and XRD analyses were used to characterize the structures of the basic vitrified bond with different contents of aluminum. The bending strength and the thermal expansion coefficients were also tested. Meanwhile, the microstructures of composite specimens at sintering temperature of 660 ℃ were observed by scanning electron microscope（SEM）. The experimental results showed that the properties of vitrified bond with 1wt% aluminum were improved significantly, where the bending strength, Rockwell hardness, and thermal expansion coefficient of the vitrified bond reached 132 MPa, 63 HRB, and 6.73×10^（-6） ℃^（-1）, respectively.展开更多
Bulk metallic glasses with up to 72 mm critical section thickness have been obtained by conventional casting techniques and the properties of these materials, particularly the mechanical and magnetic properties have b...Bulk metallic glasses with up to 72 mm critical section thickness have been obtained by conventional casting techniques and the properties of these materials, particularly the mechanical and magnetic properties have been studied. These materials have been demonstrated to have novel properties which are fundamentally different from their crystalline counterparts. The recent status of research and development in formation, structure and properties of bulk metallic glasses is reviewed. The techniques to produce such bulk glasses are summarized and the glass forming ability and the critical cooling rate of these materials are discussed. Further consideration of the development and application of this new class of materiaIs will be proposed.展开更多
1 Introduction Kyanite is an important naturally occurring in-dustrial mineral and is used in the manufacture of avariety of industrial ceramic products; notable exam-ples include refractories and porcelains. It is a ...1 Introduction Kyanite is an important naturally occurring in-dustrial mineral and is used in the manufacture of avariety of industrial ceramic products; notable exam-ples include refractories and porcelains. It is a high-pressure polymorph of the aluminosilicates of the ne-sosilicate group, which includes kyanite, sillimanite,and andalusite. These three aluminous or alumina-rich minerals are chemically identical with the compo-sition, Al;SiO;, but have different crystal structuresand physical properties. It is, however, their alumina展开更多
The development of new materials,having exceptional properties in comparison to existing materials is highly required for bringing advancement in electronic and optoelectronic technologies.Keeping this fact,we investi...The development of new materials,having exceptional properties in comparison to existing materials is highly required for bringing advancement in electronic and optoelectronic technologies.Keeping this fact,we investigated structural,electronic,and optical properties of zincblende GaN doped with selected Zn concentrations(6.25%,12.50%,and 18.70%),using the first-principle calculations based on density functional theory with GGA+U.We conducted the entire study using the WIEN2K code.In this study,we calculated various significant parametric quantities such as cohesive energies,formation energies,bulk moduli,and lattice constants along with the study of optical and electronic properties by substituting Ga atoms with Zn atoms in 1×2×2 supercell.The structural stability is confirmed by studying the phonon dispersion curves which suggest that Zn:GaN material is stable against the 6.25%and 18.70%Zn concentrations while for 12.50%,it shows instability.The Hubbard values U=0,2,4,6 eV were added to GGA and the electronic properties were improved with the U=6 eV.Optical absorption was blue shifted while the refractive index and dielectric constant were increased with increasing the Zn concentrations.Electronic properties are enhanced due to the prime contribution of cations(Zn)3ri states.The optical and electronic properties are further discussed in detail in the entire study.展开更多
The future intelligent era that will be brought about by 5G technology can be well predicted.For example,the connection between humans and smart wearable devices will become increasingly more intimate.Flexible wearabl...The future intelligent era that will be brought about by 5G technology can be well predicted.For example,the connection between humans and smart wearable devices will become increasingly more intimate.Flexible wearable pressure sensors have received much attention as a part of this process.Nevertheless,there is a lack of complete and detailed discussion on the recent research status of capacitive pressure sensors composed of polymer composites.Therefore,this article will mainly discuss the key concepts,preparation methods and main performance of flexible wearable capacitive sensors.The concept of a processing“toolbox”is used to review the developmental status of the dielectric layer as revealed in highly cited literature from the past five years.The preparation methods are categorized into types of processing:primary and secondary.Using these categories,the preparation methods and structure of the dielectric layer are discussed.Their influence on the final capacitive sensing behavior is also addressed.Recent developments in the electrode layer are also systematically reviewed.Finally,the results of the above discussion are summarized and future development trends are discussed.展开更多
Polybutylene succinate(PBS)fiber is a kind of synthetic fibers with excellent properties and biodegradability,which has been produced on a large scale in China.To investigate the application properties of PBS fibers,t...Polybutylene succinate(PBS)fiber is a kind of synthetic fibers with excellent properties and biodegradability,which has been produced on a large scale in China.To investigate the application properties of PBS fibers,the structure and properties were systematically studied in this paper.The microstructures and thermal properties of PBS fibers were analyzed by Fourier transform infrared(FTIR)spectroscopy,X-ray diffraction(XRD),scanning electron microscopy(SEM),thermo gravimetric(TG)and differential scanning calorimetry(DSC).The mechanical properties,chemical stability and dyeing properties of PBS fibers were also studied.The results show that PBS fibers areα-crystalline with a crystallinity of 58.56%.PBS fibers have an excellent thermal stability and the initial temperature of thermal degradation is 370℃.The tensile strength,the elongation at break,the elastic recovery rate at a fixed elongation(5%)and the moisture regain rate of PBS fibers are 29.57 cN/tex,90.94%,44.55%and 5.04%,respectively.The chemical stability is as follows:alkali resistance<acid resistance<oxidation resistance.PBS fibers have an excellent dye uptake by carrier dyeing of disperse dyes.展开更多
To study the diverse coordination modes of the H_2btib,three new coordination architectures,namely, [Ag（Hbtib）CH_3CN]_n（1）,）[Ag（Hbtib）]_n（2） and[Pb（btib）（CH_3OH）_2]_n（3）（where H_2btib=4-（（2-butyl-5-...To study the diverse coordination modes of the H_2btib,three new coordination architectures,namely, [Ag（Hbtib）CH_3CN]_n（1）,）[Ag（Hbtib）]_n（2） and[Pb（btib）（CH_3OH）_2]_n（3）（where H_2btib=4-（（2-butyl-5-（2- carboxy-3-（thiophen-2-yl）prop-1-enyl）-1H-imidazol-1-yl）methyl）benzoic acid） have been synthesized and characterized by elemental analysis,IR spectrum and single-crystal X-ray diffraction.Complex 1 exhibits 1D single chain structure,while 2 shows 1D double metal chain motif,and 3 features a 2D layer topology.Also,1,2 and 3 display strong emission band in the solid state at room temperature.展开更多
By means of reducing the ratio of water to cement （ w/c ）, incorporating a proper amount of fly ash and superplasticizer , and processing the surface of recycled aggregate （ RA ）, this paper aims at improving the...By means of reducing the ratio of water to cement （ w/c ）, incorporating a proper amount of fly ash and superplasticizer , and processing the surface of recycled aggregate （ RA ）, this paper aims at improving the interfacial transition zone （ITZ） submicro- structure of the regenerated concrete （ RC ）. The experimental resuits of mercury intrusion pressure （MIP） show that RA pretreated by PVA polymer solution and lyophobic active agent can jam its surface pore and hole, thus the porosity of RA is decreased. When reducing w/c ratio, incorporating 20% of fly ash （ FA ） and 2.5% of superplasticizer （ to cement ） in the RC , the width of ITZ is effectively narrowed, the structure of ITZ is combined much more compact and the compressive strength of RC is enhanced. Under the same conditions, using RA pretreated by 1% PVA polymer solution, the fluidity of fresh RC can be enhanced and the compressive strength of hardened RC can also be enhanced lightly. Whereas using RA pretreated by lyophobic active agent, the fluidity of fresh RC can be enhanced , but it impairs the adhesion of fresh cement paste and the surface of old concrete, and hinders the strength development of RC. In the ITZ structure of ordinary concrete （prepared with natural coarse and fine aggregate ）, there are much Ca （ OH）2, in plank-and sheet-like, distributing with priority tropism, whereas in the RC structure, Ca（ OH）2 with a coarse size is not found in ITZ ; the main reason is that the surface of coarse aggregate does not have a layer of water film.展开更多
A dinuclear Tb（Ⅲ） compound, Tb_2（μ_2-anthc）_4（anthc）_2（1,10-phen）_2（1, Hanthc = 9-anthracenecarboxylic acid and 1,10-phen = 1,10-phenanthroline）, was synthesized under solvothermal condition and structural...A dinuclear Tb（Ⅲ） compound, Tb_2（μ_2-anthc）_4（anthc）_2（1,10-phen）_2（1, Hanthc = 9-anthracenecarboxylic acid and 1,10-phen = 1,10-phenanthroline）, was synthesized under solvothermal condition and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the triclinic system, space group P1, with a = 12.5061（12）, b = 13.3168（10）, c = 15.0079（12） ？, α = 110.620（7）, β = 102.941（7）, γ = 107.036（7）o, V = 2081.8（3） ？~3, Z = 1, C_（114）H_（70）N_4O_（12）Tb_2, M_r = 2005.58, D_c = 1.600 g/cm^3, μ = 1.759 mm^（-1）, F（000） = 1008, the final R = 0.0294 and w R = 0.0608 for 8900 observed reflections with I 〉 2s（I）. In compound 1, two Tb（Ⅲ） ions are linked by four carboxylate groups of the bridging anthc– ligands to give a dinuclear Tb_2（μ_2-anthc）_4 unit wherein each Tb（III） ion is further capped by a terminal anthc– ligand and a 1,10-phen ligand in a chelating fashion. Detailed direct-current and alternating-current susceptibility measurements showed no slow magnetism relaxation phenomenon was observed for 1.展开更多
The films deposited at low temperature（LT-films） have increasingly attracted theoretical and technical interests since such films exhibit obvious difference in structure and performances compared to those deposited ...The films deposited at low temperature（LT-films） have increasingly attracted theoretical and technical interests since such films exhibit obvious difference in structure and performances compared to those deposited at room temperature.Studies on the tribological properties of LT-films are rarely reported in available literatures.In this paper,the structure,morphology and tribological properties of Ag films,deposited at LT（166 K） under various Ar pressures on AISI 440C steel substrates by arc ion plating（AIP）,are studied by X-ray diffraction（XRD）,atomic force microscopy（AFM） and a vacuum ball-on-disk tribometer,and compared with the Ag films deposited at RT（300 K）.XRD results show that（200） preferred orientation of the films is promoted at LT and low Ar pressure.The Crystallite sizes are 70 nm-80 nm for LT-Ag films deposited at 0.2 Pa and 0.8 Pa and larger than 100 nm for LT-Ag films deposited at 0.4 Pa and 0.6 Pa,while they are 55 nm-60 nm for RT-Ag films deposited at 0.2 Pa-0.6 Pa and 37 nm for RT-Ag films deposited at 0.8 Pa.The surfaces of LT-Ag films are fibre-like at 0.6 Pa and 0.8 Pa,terrace-like at 0.4 Pa,and sphere-like at 0.2 Pa,while the surfaces of RT-Ag films are composed of sphere-like grains separated by voids.Wear tests reveal that,due to the compact microstructure LT-Ag films have better wear resistances than RT-Ag film.These results indicate that the microstructure and wear resistance of Ag films deposited by AIP can be improved by low temperature deposition.展开更多
基金the National Natural Science Foundation of China(Nos.51934004,51974176)the Natural Science Foundation for Distinguished Young Scholars of Shandong Province(No.ZR2020JQ22)+1 种基金the Youth Science and Technology Innovation of Shandong Province(No.2019KJH006)the Special Funds for Taishan Scholar Project(No.TS20190935).
文摘Permeability is a key parameter for coalbed methane development.Although the absolute permeability of coal has been extensively studied,wettability and pore structure properties continue to challenge the microscopic description of water-gas flow in coal.For this purpose,we reconstructed the microstructures of low-rank coal using micro-computed tomography(micro-CT)images.Pore geometry and pore-throat parameters are introduced to establish a relationship with absolute permeability.A dual-porosity pore network model is developed to study water-gas displacement under different wetting and pore structure properties.Results show that absolute permeability is significantly affected by pore geometry and can be described using a binary quadratic function of porosity and fractal dimension.Water-gas relative permeability varies significantly and the residual gas saturation is lower;the crossover saturation first decreased and then increased with increasing porosity under hydrophobic conditions.While the water relative permeability is lower and a certain amount of gas is trapped in complex pore-throat networks;the crossover saturation is higher under hydrophilic conditions.Models with large percolating porosity and well-developed pore networks have high displacement efficiency due to low capillary resistance and avoidance of trapping.This work provides a systematic description of absolute permeability and water-gas relative permeability in coal microstructure for enhanced gas recovery.
基金Supported by the National Basic Research Program of China under Grant Nos 2012CV821400 and 2010CB922904the National Science Foundation of China under Grant Nos NSFC-1190024,11175248 and 11104339the Strategic Priority Research Program of Chinese Academy of Sciences under Grant No XDB07000000
文摘We investigate the electronic structures of FeSe in the presence of different possible orders and spin-orbit coupling （SOC）. It is found that only the ferro-orbital order （FO） and the collinear antiferro-magnetism （C-AFM） can simultaneously induce splittings at F and M. Bicollinear antiferro-magnetism （B-AFM） and SOC have very similar band structures on F-M near the Fermi level. The temperature T insensitive splitting at F and the T-dependent splitting at M observed in recent experiments can be explained by the d-wave bond nematic （dBN） order together with SOC. The recent observed Dirac cones and their T-dependence in FeSe thin films can also be well explained by the dBN order together with the band renormMization. Their thickness- and cobalt-doping- dependent behaviors are the consequences of electron doping and reduction of Se height. All these suggest that the nematic order in the FeSe system is the dBN order.
基金Supported by The High-level Talents Program of Hebei Province (A20190-1128)Tangshan Science and Technology Planning Project (19150204E)。
文摘[Objectives] This study was conducted to investigate the feasibility of using modified peanut dietary fiber as a functional food ingredient. [Methods]Using peanut shells as a test material,the process parameters of soluble dietary fiber( SDF) modified by extrusion and expansion were studied,and the functional and structural characteristics of SDF before and after modification were discussed. [Results] The optimum conditions were as follows: screw speed 200 rpm,temperature 130 ℃ and moisture content 20 %,and the SDF extraction yield was 22. 3%. The modified SDF showed BCmax values of( 378. 5 ± 5. 3),( 278. 3 ± 3. 2)and( 167. 2 ± 2. 5) μmol/g and BCmin of( 30. 4 ± 1. 3),( 63. 4 ± 3. 7) and( 71. 3 ± 4. 2) μmol/L,for Pb,As and Cu,respectively,indicating that the adsorption to the three heavy metals was enhanced. The modified SDF had a porous network like honeycomb and swelled structure. [Conclusions]Therefore,it is feasible to modify SDF by extrusion and expansion.
基金financially supported by the National Key Research and Development Program of China(No.2022YFB3603105)Key Programs of the Chinese Academy of Sciences(No.ZDRW-CN-2023-3-2)+1 种基金the National Natural Science Foundation of China(No.51803221)Natural Science Foundation of Beijing Municipality(No.2202068)。
文摘The traditional high-temperature preparation process of polyimide can cause many problems and limits the wider application in extreme conditions.An important challenge to be solved urgently is the reduction of imidization temperature.In this work,twelve kinds of polyimide films with different chain rigidity were prepared at low temperature of 200℃,in the absence or presence of imidazole used as the catalyst.The molecular rigidity and free volume were theoretically calculated,and relationship between structure and properties were systematically studied.The results show that imidization reaction under low temperatures is significantly affected by the rigidity of molecula r chains.The rigid structure of polyimide is not conducive to the low-temperature imidization,but this adverse effect can be eliminated by adding catalyst,resulting the notably increased imidization degree.The optical and thermal properties can be improved to a certain extent for the chemically catalyzed system,resulting in relatively higher heat resistance and thermal stability.While the mechanical performance could be determined by com plicating factors,greatly different from polyimide films prepa red by high temperature method.To investigate aggregation structures of film s,the effect of chain rigidity and catalyst on the stacking or orientation of molecular chains was further elaborated.This wo rk can contribute to the understanding of chemically catalyzed imidization that is rarely reported in the existing research,and will provide guidance for the low-temperature preparation of high-performance polyimides.
基金Project supported by the Natural Science Foundation of Anhui Province(Grant No.1908085MA12)the National Natural Science Foundation of China(Grant No.21703222)。
文摘Cyclo[18]carbon has received considerable attention thanks to its novel geometric configuration and special electronic structure.Superalkalis have low ionization energy.Doping a superalkali in cyclo[18]carbon is an effective method to improve the optical properties of the system because considerable electron transfer occurs.In this paper,the geometry,bonding properties,electronic structure,absorption spectrum,and nonlinear optical(NLO)properties of superalkaline M_(3)O(M=Li,Na)-doped cyclo[18]carbon were studied by using density functional theory.M_(3)O and the C_(18) rings are not coplanar.The C_(18) ring still exhibits alternating long and short bonds.The charge transfer between M_(3)O and C_(18) forms stable[M_(3)O]+[C_(18)]-ionic complexes.C_(18)M_(3)O(M=Li,Na)shows striking optical nonlinearity,i.e.,their first-and second-order hyperpolarizability(βvec andγ||)increase considerably atλ=1907 nm and 1460 nm.
基金the Deanship of Scientific Research at King Khalid University for funding this work through Large Groups Project under(RGP.2/111/44)。
文摘In this research work,sol-gel technique was employed to prepare the strontium based spinel ferrite nanoparticles(SrFe_(2)O_(4))with different ratios of terbium(Tb).Different characterization techniques were used to investigate the structural,morphological,dielectric and magnetic properties of the prepared samples.X-ray diffraction(XRD)result suggests that face-centered cube spinel nanocrystalline structure is formed.Crystallite size of the SrFe_(2)O_(4)decreases with rising of Tb ratio.The morphology,shape and size of the SrFe_(2)O_(4)were examined by scanning electron microscopy(SEM)analysis and results reveal inhomogeneous distributions of the nanostructures with high agglomeration.The electrical resistivity of the SrFe_(2)O_(4)increases with rising of Tb ratio,which is confirmed from the cyclic voltammetry.It is observed that dielectric constant of all the samples decreases with the increasing frequency range.It is determined that the dielectric constants of the spinel ferrites are frequency dependent and decrease with increasing the frequency of applied electric field.The magnetic behavior of SrFe_(2)O_(4)with different ratios of Tb was studied and it is found that the saturation magnetization values of samples decrease with increase in the substitution of Tb^(3+)at octahedral sites for Fe^(3+).This decrease in the values of M_(s) is also attributed to spin at surface of nanoparticles.
文摘In this study,the casting process is used to fabricate modified polyvinyl alcohol(PVA),starch(S),and carboxymethyl cellulose(CMC)polymer blend films(PVA/S/CMC)loaded with various concentrations of irondoped carbon quantum dots(Fe-CQDs)and denoted as(PVA/S/CMC@Fe-CQDs).A one-step microwave strategy was employed as a facile method to prepare Fe-CQDs.Through a series of characterization techniques,fourier-transform infrared(FTIR)spectroscopy,x-ray diffraction(XRD)analysis,and scanning electron microscopy(SEM)have been used to show the successful integration of Fe-CQDs into the PVA/S/CMCmatrix.Loading the synthesized Fe-CQDs to the polymeric matrix significantly enhanced the mechanical properties of the films represented in the tensile strength,Young’s modulus,and hardness.However,the elongation decreased noticeably upon increasing the iron-doped carbon dots.The surface wettability was also studied by measuring the contact angle of the prepared films.The findings showed a noticeable elevation in these measurements by increasing the Fe-CQDs content,declaring the role of a hydrophobic character in these nanoparticles when introduced into a hydrophilic polymeric system.The dielectric characteristics of the reinforced polymer composite films were evaluated.These results revealed that the ac-conductivity of the investigated films was boosted with increasing Fe-CQDs’ratio and frequency.The PVA/S/CMC@Fe-CQDs films possess substantial potential for efficient energy storage applications.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12174352 and 12111530103)the Fundamental Research Funds for the Central Universities,China University of Geosciences(Wuhan)(Grant No.G1323523065)。
文摘(Mg,Fe)SiO_(3) is primarily located in the mantle and has a substantial impact on geophysical and geochemical processes.Here,we employ molecular dynamics simulations to investigate the structural and transport properties of(Mg,Fe)SiO_(3) with varying iron contents at temperatures up to 5000 K and pressures up to 135 GPa.We thoroughly examine the effects of pressure,temperature,and iron content on the bond lengths,coordination numbers,viscosities,and electrical conductivities of(Mg,Fe)SiO_(3).Our calculations indicate that the increase of pressure leads to the shortening of the O-O and Mg-O bond lengths,while the Si-O bond lengths exhibit the initial increase with pressure up to 40 GPa,after which they are almost unchanged.The coordination numbers of Si transition from four-fold to six-fold and eventually reach eight-fold coordination at 135 GPa.The enhanced pressure causes the decrease of the diffusion coefficients and the increase of the viscosities of(Mg,Fe)SiO_(3).The increased temperatures slightly decrease the coordination numbers and viscosities,as well as obviously increase the diffusion coefficients and electrical conductivities of(Mg,Fe)SiO_(3).Additionally,iron doping facilitates the diffusion of Si and O,reduces the viscosities,and enhances the electrical conductivities of(Mg,Fe)SiO_(3).These findings advance fundamental understanding of the structural and transport properties of(Mg,Fe)SiO_(3) under high temperature and high pressure,which provide novel insights for unraveling the complexities of geological processes within the Earth's mantle.
基金supported by the Medical Special Cultivation Project of Anhui University of Science and Technology(Nos.YZ2023H2B013 and YZ2023H2B012),China.
文摘To explore high value-added utilization pathways of fly ash,the mesoporous structure of silicon dioxide extracted from fly ash(FA-SiO_(2))was utilized to restrict the dicyandiamide(DCDA)thermal degradation process.This produced chemically bonded interacting composite photocatalysts of FA-SiO,and graphitic-phase carbon nitride(g-C_(3)N_(4)).Compared with the spherical silicon dioxide prepared using tetraethyl orthosilicate(TEOS-SiO_(2)),the mesoporous structure of FA-SiO_(2),allowed DCDA to react in a smaller space,which facilitated the transformation of DCDA to melamine by the thermal degradation kinetics of FA-C_(3)N_(4)/DCDA.This ultimately boosted the formation of an N-atom-removed triazine ring structure and a multistage structure combining lumps and rods in the composite photocatalysts of g-C_(3)N_(4),and FA-SiO_(2),which led to a higher visible-light utilization efficiency,a suitable valence-band position,and the photocatalytic activity for methylene blue reaching 3.56 times that of g-C_(3)N_(4).The findings indicate that mesoporous FA-SiO,has the potential to improve the structural and photocatalytic properties of g-C_(3)N_(4),-based materials.
基金Research Project Supported by the National Natural Science Foundation of China Youth Project(21501155)Shanxi Scholarship Council of China(No.2013-082)Fund Program for the Scientific Activities of Selected Returned Overseas Professionals in Shanxi Province
文摘A new Cd~Ⅱ coordination complex,namely [Cd（iba）_2]_n（1）,was prepared by the hydrothermal reaction of Cd（NO_3）_2·4H_2O with 4-imidazol-1-yl-benzoic acid（Hiba）. Single-crystal X-ray diffraction analysis shows that compound 1 crystallizes in monoclinic system,space group Cc with a = 11.403（4）,b = 30.480（9）,c = 7.732（3） ？,β = 130.189（4）o,V = 2503.0（1） ？~3,Z = 4,C_（22）H_（18）CdN_4O_4,Mr = 514.80,Dc = 1.666 g/cm^3,F（000） = 1032 and μ（Mo Kα） = 1.101 mm-1. The final R and wR are 0.0573 and 0.1823 for 4421 observed reflections with I 〉 2σ（I）. Each iba-ligand coordinates in a bidentate fashion,connecting the Cd（Ⅱ） atoms to form a 2D wave-shape layer structure,which can be simplified as a four-connected topological net. Interestingly,the 2D layers are further extended into a 3-fold interpenetrating 3D architecture. Compound 1 displays an emissive maximum at 455 nm in the solid state at room temperature and a response of the second harmonic generation（SHG） activity is approximately 0.8 times that of KDP.
基金Funded by the National“Twelfth Five-Year”Plan for Science&Technology Support of China(2012BAA08B00)
文摘Influence of aluminum addition on the structures and properties of SiO_2-B_2O_3-Al_2O_3-CaO vitrified bond at low sintering temperature and high strength was discussed. FTIR and XRD analyses were used to characterize the structures of the basic vitrified bond with different contents of aluminum. The bending strength and the thermal expansion coefficients were also tested. Meanwhile, the microstructures of composite specimens at sintering temperature of 660 ℃ were observed by scanning electron microscope（SEM）. The experimental results showed that the properties of vitrified bond with 1wt% aluminum were improved significantly, where the bending strength, Rockwell hardness, and thermal expansion coefficient of the vitrified bond reached 132 MPa, 63 HRB, and 6.73×10^（-6） ℃^（-1）, respectively.
文摘Bulk metallic glasses with up to 72 mm critical section thickness have been obtained by conventional casting techniques and the properties of these materials, particularly the mechanical and magnetic properties have been studied. These materials have been demonstrated to have novel properties which are fundamentally different from their crystalline counterparts. The recent status of research and development in formation, structure and properties of bulk metallic glasses is reviewed. The techniques to produce such bulk glasses are summarized and the glass forming ability and the critical cooling rate of these materials are discussed. Further consideration of the development and application of this new class of materiaIs will be proposed.
文摘1 Introduction Kyanite is an important naturally occurring in-dustrial mineral and is used in the manufacture of avariety of industrial ceramic products; notable exam-ples include refractories and porcelains. It is a high-pressure polymorph of the aluminosilicates of the ne-sosilicate group, which includes kyanite, sillimanite,and andalusite. These three aluminous or alumina-rich minerals are chemically identical with the compo-sition, Al;SiO;, but have different crystal structuresand physical properties. It is, however, their alumina
文摘The development of new materials,having exceptional properties in comparison to existing materials is highly required for bringing advancement in electronic and optoelectronic technologies.Keeping this fact,we investigated structural,electronic,and optical properties of zincblende GaN doped with selected Zn concentrations(6.25%,12.50%,and 18.70%),using the first-principle calculations based on density functional theory with GGA+U.We conducted the entire study using the WIEN2K code.In this study,we calculated various significant parametric quantities such as cohesive energies,formation energies,bulk moduli,and lattice constants along with the study of optical and electronic properties by substituting Ga atoms with Zn atoms in 1×2×2 supercell.The structural stability is confirmed by studying the phonon dispersion curves which suggest that Zn:GaN material is stable against the 6.25%and 18.70%Zn concentrations while for 12.50%,it shows instability.The Hubbard values U=0,2,4,6 eV were added to GGA and the electronic properties were improved with the U=6 eV.Optical absorption was blue shifted while the refractive index and dielectric constant were increased with increasing the Zn concentrations.Electronic properties are enhanced due to the prime contribution of cations(Zn)3ri states.The optical and electronic properties are further discussed in detail in the entire study.
基金The authors gratefully acknowledge the financial support of this work by National Natural Science Foundation of China(51773139,51922071).
文摘The future intelligent era that will be brought about by 5G technology can be well predicted.For example,the connection between humans and smart wearable devices will become increasingly more intimate.Flexible wearable pressure sensors have received much attention as a part of this process.Nevertheless,there is a lack of complete and detailed discussion on the recent research status of capacitive pressure sensors composed of polymer composites.Therefore,this article will mainly discuss the key concepts,preparation methods and main performance of flexible wearable capacitive sensors.The concept of a processing“toolbox”is used to review the developmental status of the dielectric layer as revealed in highly cited literature from the past five years.The preparation methods are categorized into types of processing:primary and secondary.Using these categories,the preparation methods and structure of the dielectric layer are discussed.Their influence on the final capacitive sensing behavior is also addressed.Recent developments in the electrode layer are also systematically reviewed.Finally,the results of the above discussion are summarized and future development trends are discussed.
基金National Natural Science Foundation of China(No.1073122)。
文摘Polybutylene succinate(PBS)fiber is a kind of synthetic fibers with excellent properties and biodegradability,which has been produced on a large scale in China.To investigate the application properties of PBS fibers,the structure and properties were systematically studied in this paper.The microstructures and thermal properties of PBS fibers were analyzed by Fourier transform infrared(FTIR)spectroscopy,X-ray diffraction(XRD),scanning electron microscopy(SEM),thermo gravimetric(TG)and differential scanning calorimetry(DSC).The mechanical properties,chemical stability and dyeing properties of PBS fibers were also studied.The results show that PBS fibers areα-crystalline with a crystallinity of 58.56%.PBS fibers have an excellent thermal stability and the initial temperature of thermal degradation is 370℃.The tensile strength,the elongation at break,the elastic recovery rate at a fixed elongation(5%)and the moisture regain rate of PBS fibers are 29.57 cN/tex,90.94%,44.55%and 5.04%,respectively.The chemical stability is as follows:alkali resistance<acid resistance<oxidation resistance.PBS fibers have an excellent dye uptake by carrier dyeing of disperse dyes.
基金the financial support by the He'nan Key Science and Technology Research(Nos.112102310084 and 122102310061)
文摘To study the diverse coordination modes of the H_2btib,three new coordination architectures,namely, [Ag（Hbtib）CH_3CN]_n（1）,）[Ag（Hbtib）]_n（2） and[Pb（btib）（CH_3OH）_2]_n（3）（where H_2btib=4-（（2-butyl-5-（2- carboxy-3-（thiophen-2-yl）prop-1-enyl）-1H-imidazol-1-yl）methyl）benzoic acid） have been synthesized and characterized by elemental analysis,IR spectrum and single-crystal X-ray diffraction.Complex 1 exhibits 1D single chain structure,while 2 shows 1D double metal chain motif,and 3 features a 2D layer topology.Also,1,2 and 3 display strong emission band in the solid state at room temperature.
文摘By means of reducing the ratio of water to cement （ w/c ）, incorporating a proper amount of fly ash and superplasticizer , and processing the surface of recycled aggregate （ RA ）, this paper aims at improving the interfacial transition zone （ITZ） submicro- structure of the regenerated concrete （ RC ）. The experimental resuits of mercury intrusion pressure （MIP） show that RA pretreated by PVA polymer solution and lyophobic active agent can jam its surface pore and hole, thus the porosity of RA is decreased. When reducing w/c ratio, incorporating 20% of fly ash （ FA ） and 2.5% of superplasticizer （ to cement ） in the RC , the width of ITZ is effectively narrowed, the structure of ITZ is combined much more compact and the compressive strength of RC is enhanced. Under the same conditions, using RA pretreated by 1% PVA polymer solution, the fluidity of fresh RC can be enhanced and the compressive strength of hardened RC can also be enhanced lightly. Whereas using RA pretreated by lyophobic active agent, the fluidity of fresh RC can be enhanced , but it impairs the adhesion of fresh cement paste and the surface of old concrete, and hinders the strength development of RC. In the ITZ structure of ordinary concrete （prepared with natural coarse and fine aggregate ）, there are much Ca （ OH）2, in plank-and sheet-like, distributing with priority tropism, whereas in the RC structure, Ca（ OH）2 with a coarse size is not found in ITZ ; the main reason is that the surface of coarse aggregate does not have a layer of water film.
基金Supported by the National Natural Science Foundation of China(No.21361011 and 21101081)Science Founds of State Key Laboratory of Structural Chemistry(20130011)
文摘A dinuclear Tb（Ⅲ） compound, Tb_2（μ_2-anthc）_4（anthc）_2（1,10-phen）_2（1, Hanthc = 9-anthracenecarboxylic acid and 1,10-phen = 1,10-phenanthroline）, was synthesized under solvothermal condition and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the triclinic system, space group P1, with a = 12.5061（12）, b = 13.3168（10）, c = 15.0079（12） ？, α = 110.620（7）, β = 102.941（7）, γ = 107.036（7）o, V = 2081.8（3） ？~3, Z = 1, C_（114）H_（70）N_4O_（12）Tb_2, M_r = 2005.58, D_c = 1.600 g/cm^3, μ = 1.759 mm^（-1）, F（000） = 1008, the final R = 0.0294 and w R = 0.0608 for 8900 observed reflections with I 〉 2s（I）. In compound 1, two Tb（Ⅲ） ions are linked by four carboxylate groups of the bridging anthc– ligands to give a dinuclear Tb_2（μ_2-anthc）_4 unit wherein each Tb（III） ion is further capped by a terminal anthc– ligand and a 1,10-phen ligand in a chelating fashion. Detailed direct-current and alternating-current susceptibility measurements showed no slow magnetism relaxation phenomenon was observed for 1.
基金supported by National Basic Research Program of China(973 Project,Grant No.2007CB607601)National Natural Science Foundation of China (Grant No. 50301015)
文摘The films deposited at low temperature（LT-films） have increasingly attracted theoretical and technical interests since such films exhibit obvious difference in structure and performances compared to those deposited at room temperature.Studies on the tribological properties of LT-films are rarely reported in available literatures.In this paper,the structure,morphology and tribological properties of Ag films,deposited at LT（166 K） under various Ar pressures on AISI 440C steel substrates by arc ion plating（AIP）,are studied by X-ray diffraction（XRD）,atomic force microscopy（AFM） and a vacuum ball-on-disk tribometer,and compared with the Ag films deposited at RT（300 K）.XRD results show that（200） preferred orientation of the films is promoted at LT and low Ar pressure.The Crystallite sizes are 70 nm-80 nm for LT-Ag films deposited at 0.2 Pa and 0.8 Pa and larger than 100 nm for LT-Ag films deposited at 0.4 Pa and 0.6 Pa,while they are 55 nm-60 nm for RT-Ag films deposited at 0.2 Pa-0.6 Pa and 37 nm for RT-Ag films deposited at 0.8 Pa.The surfaces of LT-Ag films are fibre-like at 0.6 Pa and 0.8 Pa,terrace-like at 0.4 Pa,and sphere-like at 0.2 Pa,while the surfaces of RT-Ag films are composed of sphere-like grains separated by voids.Wear tests reveal that,due to the compact microstructure LT-Ag films have better wear resistances than RT-Ag film.These results indicate that the microstructure and wear resistance of Ag films deposited by AIP can be improved by low temperature deposition.
