The development process of complex equipment involves multi-stage business processes,multi-level product architecture,and multi-disciplinary physical processes.The relationship between its system model and various dis...The development process of complex equipment involves multi-stage business processes,multi-level product architecture,and multi-disciplinary physical processes.The relationship between its system model and various disciplinary models is extremely complicated.In the modeling and integration process,extensive customized development is needed to realize model integration and interoperability in different business scenarios.Meanwhile,the differences in modeling and interaction between different modeling tools make it difficult to support the consistent representation of models in complex scenarios.To improve the efficiency of system modeling and integration in complex business scenarios,a system modeling and integration method was proposed.This method took the Sys ML language kernel as the core and system model function integration as the main line.Through the technical means of model view separation,abstract operation interface,and model view configuration,the model modeling and integration of multi-user,multi-model,multi-view,and different business logic in complex business scenarios were realized.展开更多
To investigate the process optimizationof Cu-en/AP composite microspheres preparation via electrostatic spraying,and to reveal the effects of droplet properties and flow rate variations on the experimental results dur...To investigate the process optimizationof Cu-en/AP composite microspheres preparation via electrostatic spraying,and to reveal the effects of droplet properties and flow rate variations on the experimental results during the electrostatic spraying process,the prepared process parameters of Cu-en/AP composite microspheres by electrostatic spray method under the orthogonal experimental design simulated by ANSYS(Fluent).The influence of flow rate,solvent ratio,and solid mass on the experimental results is examined using a controlled variable method.The results indicate that under the conditions of a flow rate of 2.67×10^(-3)kg/s an acetone-to-deionized water ratio of 1.5∶1.0,and a solid mass of 200 mg,the theoretical particle size of the composite microspheres can reach e nanoscale.Droplet trajectories in the electric field remain stable without significant deviation.The simulation results show that particle diameter decreases with increasing flow rate,with the trend leveling off around a flow rate of 1×10^(-3)kg/s.As the solvent ratio increases(with higher acetone content),particle diameter initially decreases,reaching a minimum around a ratio of 1.5∶1.0 before gradually increasing.Increasing the solid mass also reduces the particle diameter,with a linear increase in diameter observed at around 220 mg.Cu-en/AP composite microspheres with nanoscale dimensions were confirmed under these conditions by the final SEM images.展开更多
Covalent organic frameworks(COFs),with two dimensional(2D-)or three dimensional(3D-)structures,have accessible open channels or nanopores,with uniform sizes ranging from angstroms to nanometers and have emerged as an ...Covalent organic frameworks(COFs),with two dimensional(2D-)or three dimensional(3D-)structures,have accessible open channels or nanopores,with uniform sizes ranging from angstroms to nanometers and have emerged as an excellent and promising platform for designing catalysts or catalyst carriers.Herein,a 2 D-COF grafted with a 1-alkyl-3-methylimidazolium-based ionic liquid(AMIMBr@H2 P-DHPh COF)on the channel walls was synthesized and utilized as a highly efficient heterogeneous catalyst for the chemical fixation of CO2 via a reaction with epoxides under solvent-free and co-catalyst-free conditions.The as-synthesized AMIMBr@H2 P-DHPh COF shows excellent catalytic activity in promoting the cycloaddition reactions between epoxide and CO2;the excellent catalytic activity was maintained for up to five cycles.Advantages like high porosity,functional versatility,easy modification of COFs,and high catalytic activity of ionic liquids,have been realized in a single material.展开更多
With the aim of developing a low-cost and efficient visible-light-driven photocatalyst for radical polymerization,iron-chelating polyimide networks(Fe@MPI)was fabricated by firstly synthesizing photoactive melamine-co...With the aim of developing a low-cost and efficient visible-light-driven photocatalyst for radical polymerization,iron-chelating polyimide networks(Fe@MPI)was fabricated by firstly synthesizing photoactive melamine-containing polyimide(MPI)networks and then incorporating Fe(III)cations into the polymer networks.Fe@MPI exhibits a wide absorption spectrum ranging from 220 to 1250 nm and 3.5 times higher photocurrent intensity as compared with the pristine MPI.Based on its excellent photo-electric properties,Fe@MPI was employed as a recyclable heterogeneous catalyst,providing sufficient activity for the visible-light driven radical polymerization to synthesize poly(methyl methacrylate)with molecular weight up to 31.×10^4 g mol.Taking advantage of the heterogeneous nature of the catalyst,Fe@MPI could be facilely regenerated from the polymerization solution by filtration without an obvious loss of its activity.This research provides a novel recyclable catalyst for visible-light driven radical polymerization.展开更多
Ultrathin small MoS2nanosheets exhibit a higher electrocatalytic activity for the hydrogen evolution reaction.However,strong interactions between MoS2layers may result in aggregation;together with the low conductivity...Ultrathin small MoS2nanosheets exhibit a higher electrocatalytic activity for the hydrogen evolution reaction.However,strong interactions between MoS2layers may result in aggregation;together with the low conductivity of MoS2,this may lower its electrocatalytic activity.In this paper we present a method that we developed to directly produce solid S,N co‐doped carbon(SNC)with a graphite structure and multiple surface groups through a hydrothermal route.When Na2MoO4was added to the reaction,polymolybdate could be anchored into the carbon materials via a chemical interaction that helps polymolybdate disperse uniformly into the SNC.After a high temperature treatment,polymolybdate transformed into MoS2at800°C for6h in a N2atmosphere at a heating rate of5°C/min,owing to S2?being released from the SNC during the treatment(denoted as MoS2/SNC‐800‐6h).The SNC effectively prevents MoS2from aggregating into large particles,and we successfully prepared highly dispersed MoS2in the SNC matrix.Electrochemical characterizations indicate that MoS2/SNC‐900‐12h exhibits a low onset potential of115mV and a low overpotential of237mV at a current density of10mA/cm2.Furthermore,MoS2/SNC‐900‐12h also had an excellent stability with only^2.6%decay at a current density of10mA/cm2after5000test cycles.展开更多
Ten species of the genus Xylotrechus Chevrolat,1860 from Beijing are studied.Xylotrechus pekingensis Pic,1939 is reinstated from synonym of Xylotrechus yanoi Gressitt,1934,and newly recorded from Hebei and Shaanxi Pro...Ten species of the genus Xylotrechus Chevrolat,1860 from Beijing are studied.Xylotrechus pekingensis Pic,1939 is reinstated from synonym of Xylotrechus yanoi Gressitt,1934,and newly recorded from Hebei and Shaanxi Provinces.Xylotrechus bifenestratus Pic,1916 is proposed as a new junior synonym of Xylotrechus polyzonus(Fairmaire,1888),both were described from Beijing,China.Three species,X.ibex(Gebler,1825),X.pyrrhoderus Bates,1873,and X.robusticollis(Pic,1936),are reported from Beijing for the first time.Several new localities are added to the related species based on specimens examined.A key to the ten species of Xylotrechus Chevrolat,1860 from Beijing is provided.展开更多
Electrochemical oxygen reduction reaction via the two-electron pathway(2e-ORR)is becoming a promising and sustainable approach to producing hydrogen peroxide(H_(2)O2)without significant carbon footprints.To achieve be...Electrochemical oxygen reduction reaction via the two-electron pathway(2e-ORR)is becoming a promising and sustainable approach to producing hydrogen peroxide(H_(2)O2)without significant carbon footprints.To achieve better performance,most of the recent progress and investigations have focused on developing novel carbon-based electrocatalysts.Nevertheless,the sophisticated preparations,decreased selectivity and undefined active sites of carbon-based catalysts have been generally acknowledged and criticized.To this end,transition metal oxides and chalcogenides have increasingly emerged for 2e-ORR,due to their catalytic stability and tunable microstructure.Here,the development of metal oxides and chalcogenides for O2-to-H_(2)O2 conversion is prospectively reviewed.By summarizing previous theoretical and experimental efforts,their diversity and outstanding catalytic activity are firstly provided.Meanwhile,the topological and chemical factors influencing 2e-ORR selectivity of the metal oxides/chalcogenides are systematically elucidated,including morphology,phase structures,doping and defects engineering.Thus,emphasizing the influence on the binding of ORR intermediates,the active sites and the underlying mechanism is highlighted.Finally,future opportunities and challenges in designing metal oxides/chalcogenides-based catalysts for H_(2)O2 electro-synthesis are outlined.The present review provides insights and fundamentals of metal oxides/chalcogenides as 2e-ORR catalysts,promoting their practical application in the energy-related industry.展开更多
The local structure and dynamics of impurities Fe,Al and Mn in beryllium were investigated on an atomic scale using ab initio molecular dynamics and statistical physics methods.The analysis of the radial distribution ...The local structure and dynamics of impurities Fe,Al and Mn in beryllium were investigated on an atomic scale using ab initio molecular dynamics and statistical physics methods.The analysis of the radial distribution function centered on impurity atoms shows that the density of beryllium atoms around Fe and Mn is 8.4%and 8.6%higher than that around Al,respectively.The statistics of the measure square displacement of impurity atoms show that the diffusion coefficients of Al atoms are 114%and 133%larger than that of Fe and Mn atoms in the melt beryllium,respectively.Statistical analysis of velocity autocorrelation function of impurity atom shows that Fe and Mn atoms collide strongly with beryllium atoms in the first coordination layer,indicating that they are tightly surrounded and bound by the surrounding beryllium atoms in the central position,while the beryllium atoms around Al are loosely arranged and have weak binding forces with Al.The analysis of the activity coefficients of the impurities shows that when Fe or Mn enters the melt beryllium,it reduces the free energy of the system,whereas when Al enters,it increases the system energy.In summary,the interatomic force of BeAl is weak,so they do not form intermetallic compounds,and Al diffuses quickly in beryllium.While BeFe and BeMn have strong interatomic forces,and tend to form more BeFe and BeMn bonds to reduce the free energy of the system,so Fe and Mn diffuse slowly in beryllium.Ab initio molecular dynamics can be used to forecast the best experimental temperature for the vacuum distillation of beryllium.展开更多
Since the discovery of the halo nucleus ^(11)Li in 1985,halo phenomena in exotic nuclei have always been an important frontier in nuclear physics research.The relativistic density functional theory has achieved great ...Since the discovery of the halo nucleus ^(11)Li in 1985,halo phenomena in exotic nuclei have always been an important frontier in nuclear physics research.The relativistic density functional theory has achieved great success inthestudyofhalonucleg,theself-consistent description ofhalonucleusLiandthe microscopic predic tion of deformed halo nuclei.This paper introduces some recent progresses based on the deformed relativistic Hartree-Bogoliubov theory in continuum(DRHBc)and the triaxial relativistic Hartree-Bogoliubov theory in continum(TRHBc).A microscopic and self-consistent description of the deformed halo nucleus ^(37)Mg,including its small one-neutron separation energy,large root-mean-square radius,diffuse density distribution,and p-wave components for the halo neutron,has been achieved by the DRHBc theory.The DRHBc theory has also predicted a deformed neutron halo and the collapse of the N=28 shll closureintherecently discovered isotope ^(39)Na The TRHBc theory has been newly developed and applied to the aluminum isotopic chain.The heaviest odd-odd ^(42)AI has been predicted as a triaxial halo nucleus with a novel shape decoupling between its core and halo at the triaxial level.展开更多
In the present study,we developed a novel high-performance liquid chromatography-diode array detection(HPLC-DAD)method for the simultaneous determination and fingerprinting of 15 components in Salvia przewalskii.The m...In the present study,we developed a novel high-performance liquid chromatography-diode array detection(HPLC-DAD)method for the simultaneous determination and fingerprinting of 15 components in Salvia przewalskii.The method had good linearity,precision,stability and recovery.Chromatographic fingerprints were determined by HPLC-DAD using rosmarinic acid peaks as references,and 17 common peaks were selected.The similarity indexes calculated based on similarity system theory of the 10 samples were higher than 0.948,indicating good correlation among the common peaks.The chromatograms distinguished S.przewalskii from Salvia miltiorrhiza and identified the origins of S.przewalskii.These results suggested that the proposed method was suitable for S.przewalskii quality control.展开更多
文摘The development process of complex equipment involves multi-stage business processes,multi-level product architecture,and multi-disciplinary physical processes.The relationship between its system model and various disciplinary models is extremely complicated.In the modeling and integration process,extensive customized development is needed to realize model integration and interoperability in different business scenarios.Meanwhile,the differences in modeling and interaction between different modeling tools make it difficult to support the consistent representation of models in complex scenarios.To improve the efficiency of system modeling and integration in complex business scenarios,a system modeling and integration method was proposed.This method took the Sys ML language kernel as the core and system model function integration as the main line.Through the technical means of model view separation,abstract operation interface,and model view configuration,the model modeling and integration of multi-user,multi-model,multi-view,and different business logic in complex business scenarios were realized.
基金National Natural Science Foundation of China(No.2275150)。
文摘To investigate the process optimizationof Cu-en/AP composite microspheres preparation via electrostatic spraying,and to reveal the effects of droplet properties and flow rate variations on the experimental results during the electrostatic spraying process,the prepared process parameters of Cu-en/AP composite microspheres by electrostatic spray method under the orthogonal experimental design simulated by ANSYS(Fluent).The influence of flow rate,solvent ratio,and solid mass on the experimental results is examined using a controlled variable method.The results indicate that under the conditions of a flow rate of 2.67×10^(-3)kg/s an acetone-to-deionized water ratio of 1.5∶1.0,and a solid mass of 200 mg,the theoretical particle size of the composite microspheres can reach e nanoscale.Droplet trajectories in the electric field remain stable without significant deviation.The simulation results show that particle diameter decreases with increasing flow rate,with the trend leveling off around a flow rate of 1×10^(-3)kg/s.As the solvent ratio increases(with higher acetone content),particle diameter initially decreases,reaching a minimum around a ratio of 1.5∶1.0 before gradually increasing.Increasing the solid mass also reduces the particle diameter,with a linear increase in diameter observed at around 220 mg.Cu-en/AP composite microspheres with nanoscale dimensions were confirmed under these conditions by the final SEM images.
文摘Covalent organic frameworks(COFs),with two dimensional(2D-)or three dimensional(3D-)structures,have accessible open channels or nanopores,with uniform sizes ranging from angstroms to nanometers and have emerged as an excellent and promising platform for designing catalysts or catalyst carriers.Herein,a 2 D-COF grafted with a 1-alkyl-3-methylimidazolium-based ionic liquid(AMIMBr@H2 P-DHPh COF)on the channel walls was synthesized and utilized as a highly efficient heterogeneous catalyst for the chemical fixation of CO2 via a reaction with epoxides under solvent-free and co-catalyst-free conditions.The as-synthesized AMIMBr@H2 P-DHPh COF shows excellent catalytic activity in promoting the cycloaddition reactions between epoxide and CO2;the excellent catalytic activity was maintained for up to five cycles.Advantages like high porosity,functional versatility,easy modification of COFs,and high catalytic activity of ionic liquids,have been realized in a single material.
文摘With the aim of developing a low-cost and efficient visible-light-driven photocatalyst for radical polymerization,iron-chelating polyimide networks(Fe@MPI)was fabricated by firstly synthesizing photoactive melamine-containing polyimide(MPI)networks and then incorporating Fe(III)cations into the polymer networks.Fe@MPI exhibits a wide absorption spectrum ranging from 220 to 1250 nm and 3.5 times higher photocurrent intensity as compared with the pristine MPI.Based on its excellent photo-electric properties,Fe@MPI was employed as a recyclable heterogeneous catalyst,providing sufficient activity for the visible-light driven radical polymerization to synthesize poly(methyl methacrylate)with molecular weight up to 31.×10^4 g mol.Taking advantage of the heterogeneous nature of the catalyst,Fe@MPI could be facilely regenerated from the polymerization solution by filtration without an obvious loss of its activity.This research provides a novel recyclable catalyst for visible-light driven radical polymerization.
基金supported by the National Natural Science Foundation of China(21671011)Beijing High-Level Talent program~~
文摘Ultrathin small MoS2nanosheets exhibit a higher electrocatalytic activity for the hydrogen evolution reaction.However,strong interactions between MoS2layers may result in aggregation;together with the low conductivity of MoS2,this may lower its electrocatalytic activity.In this paper we present a method that we developed to directly produce solid S,N co‐doped carbon(SNC)with a graphite structure and multiple surface groups through a hydrothermal route.When Na2MoO4was added to the reaction,polymolybdate could be anchored into the carbon materials via a chemical interaction that helps polymolybdate disperse uniformly into the SNC.After a high temperature treatment,polymolybdate transformed into MoS2at800°C for6h in a N2atmosphere at a heating rate of5°C/min,owing to S2?being released from the SNC during the treatment(denoted as MoS2/SNC‐800‐6h).The SNC effectively prevents MoS2from aggregating into large particles,and we successfully prepared highly dispersed MoS2in the SNC matrix.Electrochemical characterizations indicate that MoS2/SNC‐900‐12h exhibits a low onset potential of115mV and a low overpotential of237mV at a current density of10mA/cm2.Furthermore,MoS2/SNC‐900‐12h also had an excellent stability with only^2.6%decay at a current density of10mA/cm2after5000test cycles.
基金supported by the Biodiversity Survey and Assessment Project of Beijing from the Beijing Municipal Ecology and Environment Bureauthe Biodiversity Survey and Assessment Project of the Ministry of Ecology and Environment,China(2019HJ2096001006)+1 种基金partly by Project of Biological Resources Survey in Wuyishan National Parka grant(Y229YX5105)from the Key Laboratory of the Zoological Systematics and Evolution of the Chinese Academy of Sciences。
文摘Ten species of the genus Xylotrechus Chevrolat,1860 from Beijing are studied.Xylotrechus pekingensis Pic,1939 is reinstated from synonym of Xylotrechus yanoi Gressitt,1934,and newly recorded from Hebei and Shaanxi Provinces.Xylotrechus bifenestratus Pic,1916 is proposed as a new junior synonym of Xylotrechus polyzonus(Fairmaire,1888),both were described from Beijing,China.Three species,X.ibex(Gebler,1825),X.pyrrhoderus Bates,1873,and X.robusticollis(Pic,1936),are reported from Beijing for the first time.Several new localities are added to the related species based on specimens examined.A key to the ten species of Xylotrechus Chevrolat,1860 from Beijing is provided.
文摘Electrochemical oxygen reduction reaction via the two-electron pathway(2e-ORR)is becoming a promising and sustainable approach to producing hydrogen peroxide(H_(2)O2)without significant carbon footprints.To achieve better performance,most of the recent progress and investigations have focused on developing novel carbon-based electrocatalysts.Nevertheless,the sophisticated preparations,decreased selectivity and undefined active sites of carbon-based catalysts have been generally acknowledged and criticized.To this end,transition metal oxides and chalcogenides have increasingly emerged for 2e-ORR,due to their catalytic stability and tunable microstructure.Here,the development of metal oxides and chalcogenides for O2-to-H_(2)O2 conversion is prospectively reviewed.By summarizing previous theoretical and experimental efforts,their diversity and outstanding catalytic activity are firstly provided.Meanwhile,the topological and chemical factors influencing 2e-ORR selectivity of the metal oxides/chalcogenides are systematically elucidated,including morphology,phase structures,doping and defects engineering.Thus,emphasizing the influence on the binding of ORR intermediates,the active sites and the underlying mechanism is highlighted.Finally,future opportunities and challenges in designing metal oxides/chalcogenides-based catalysts for H_(2)O2 electro-synthesis are outlined.The present review provides insights and fundamentals of metal oxides/chalcogenides as 2e-ORR catalysts,promoting their practical application in the energy-related industry.
基金National Natural Science Foundation of China(12104425)Supported by State Key Laboratory of Special Rare Metal Materials,Northwest Rare Metal Materials Research Institute Ningxia Co.,Ltd(SKL2020K001)。
文摘The local structure and dynamics of impurities Fe,Al and Mn in beryllium were investigated on an atomic scale using ab initio molecular dynamics and statistical physics methods.The analysis of the radial distribution function centered on impurity atoms shows that the density of beryllium atoms around Fe and Mn is 8.4%and 8.6%higher than that around Al,respectively.The statistics of the measure square displacement of impurity atoms show that the diffusion coefficients of Al atoms are 114%and 133%larger than that of Fe and Mn atoms in the melt beryllium,respectively.Statistical analysis of velocity autocorrelation function of impurity atom shows that Fe and Mn atoms collide strongly with beryllium atoms in the first coordination layer,indicating that they are tightly surrounded and bound by the surrounding beryllium atoms in the central position,while the beryllium atoms around Al are loosely arranged and have weak binding forces with Al.The analysis of the activity coefficients of the impurities shows that when Fe or Mn enters the melt beryllium,it reduces the free energy of the system,whereas when Al enters,it increases the system energy.In summary,the interatomic force of BeAl is weak,so they do not form intermetallic compounds,and Al diffuses quickly in beryllium.While BeFe and BeMn have strong interatomic forces,and tend to form more BeFe and BeMn bonds to reduce the free energy of the system,so Fe and Mn diffuse slowly in beryllium.Ab initio molecular dynamics can be used to forecast the best experimental temperature for the vacuum distillation of beryllium.
文摘Since the discovery of the halo nucleus ^(11)Li in 1985,halo phenomena in exotic nuclei have always been an important frontier in nuclear physics research.The relativistic density functional theory has achieved great success inthestudyofhalonucleg,theself-consistent description ofhalonucleusLiandthe microscopic predic tion of deformed halo nuclei.This paper introduces some recent progresses based on the deformed relativistic Hartree-Bogoliubov theory in continuum(DRHBc)and the triaxial relativistic Hartree-Bogoliubov theory in continum(TRHBc).A microscopic and self-consistent description of the deformed halo nucleus ^(37)Mg,including its small one-neutron separation energy,large root-mean-square radius,diffuse density distribution,and p-wave components for the halo neutron,has been achieved by the DRHBc theory.The DRHBc theory has also predicted a deformed neutron halo and the collapse of the N=28 shll closureintherecently discovered isotope ^(39)Na The TRHBc theory has been newly developed and applied to the aluminum isotopic chain.The heaviest odd-odd ^(42)AI has been predicted as a triaxial halo nucleus with a novel shape decoupling between its core and halo at the triaxial level.
基金The Program of Chinese Herbal Medicines Breeding Research of Sichuan(Grant No.2016NYZ0036-3-3)the Program of Sichuan Science and Technology Conditional Platform Construction(Grant No.2018TJPT0013)
文摘In the present study,we developed a novel high-performance liquid chromatography-diode array detection(HPLC-DAD)method for the simultaneous determination and fingerprinting of 15 components in Salvia przewalskii.The method had good linearity,precision,stability and recovery.Chromatographic fingerprints were determined by HPLC-DAD using rosmarinic acid peaks as references,and 17 common peaks were selected.The similarity indexes calculated based on similarity system theory of the 10 samples were higher than 0.948,indicating good correlation among the common peaks.The chromatograms distinguished S.przewalskii from Salvia miltiorrhiza and identified the origins of S.przewalskii.These results suggested that the proposed method was suitable for S.przewalskii quality control.