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Benchmarking model chemistry composite calculations for vertical ionization potential of molecular systems
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作者 Bingwei Wang Yihong Ding Xiao Tian 《Chinese Chemical Letters》 2025年第2期508-511,共4页
In chemical science,the vertical ionization potential(VIP)is a crucial metric for understanding the electronegativity,hardness and softness of chemical material systems as well as the electronic structure and stabilit... In chemical science,the vertical ionization potential(VIP)is a crucial metric for understanding the electronegativity,hardness and softness of chemical material systems as well as the electronic structure and stability of molecules.Ever since the last century,the model chemistry composite methods have witnessed tremendous developments in computing the thermodynamic properties as well as the barrier heights.However,their performance in realm of the vertical electron processes of molecular systems has been rarely explored.In this study,we for the first time benchmarked the model chemistry composite methods(e.g.,CBS-QB3,G4 and W1BD)in comparison with the commonly used Koopmans's theorem(KT),electron propagator theory(e.g.,OVGF,D2,P3 and P3+)and CCSD(T)methods in calculating the VIP for up to 613 molecular systems with available experimental measurements.The large-scale test calculations strongly showed that the CBS-QB3 model chemistry composite technique can be well recommended to calculate VIP from the perspectives of accuracy,economy and applicability.Notably,the VIP values of up to 7 molecules were identified to have the absolute errors of larger than 0.3 e V at all calculation levels,which have strong hints that their VIP experimental values should be re-investigated. 展开更多
关键词 Model chemistry Vertical ionization potential Composite methods Molecular systems CBS-QB3
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Precipitation Chemistry and Corresponding Transport Patterns of Influencing Air Masses at Huangshan Mountain in East China 被引量:9
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作者 SHI ChunE DENG Xueliang +2 位作者 YANG Yuanjian HUANG Xiangrong WU Biwen 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2014年第5期1157-1166,共10页
One hundred and ten samples of rainwater were collected for chemical analysis at the summit of Huangshan Mountain, a high-altitude site in East China, from July 2010 to June 2011. The volume-weighted-mean (VWM) pH f... One hundred and ten samples of rainwater were collected for chemical analysis at the summit of Huangshan Mountain, a high-altitude site in East China, from July 2010 to June 2011. The volume-weighted-mean (VWM) pH for the whole sampling period was 5.03. SO2- and Ca2+ were the most abundant anion and cation, respectively. The ionic concentrations varied monthly with the highest concentrations in winter/spring and the lowest in summer. Evident inter-correlations were found among most ions, indicating the common sources for some species and fully mixing characteristics of the alpine precipitation chemistry. The VWM ratio of [SO]-]/[NO3] was 2.54, suggesting the acidity of rainwater comes from both nitric and sulfuric acids. Compared with contemporary observations at other alpine continental sites in China, the precipitation at Huangshan Mountain was the least polluted, with the lowest ionic concentrations. Trajectories to Huangshan Mountain on rainy days could be classified into six groups. The rainwater with influencing air masses originating in Mongolia was the most polluted with limited effect. The emissions of Jiangxi, Anhui, Zhejiang and Jiangsu provinces had a strong influence on the overall rain chemistry at Huangshan Mountain. The rainwater with influencing air masses from Inner Mongolia was heavily polluted by anthropogenic pollutants. 展开更多
关键词 precipitation chemistry air mass inter-relationship transport pattern Huangshan Mountain East China
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Chemistry under extreme conditions: Pressure evolution of chemical bonding and structure in dense solids 被引量:9
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作者 Choong-Shik Yoo 《Matter and Radiation at Extremes》 SCIE CAS 2020年第1期59-72,共14页
Recent advances in high-pressure technologies and large-scale experimental and computational facilities have enabled scientists,at an unprecedented rate,to discover and predict novel states and materials under the ext... Recent advances in high-pressure technologies and large-scale experimental and computational facilities have enabled scientists,at an unprecedented rate,to discover and predict novel states and materials under the extreme pressure-temperature conditions found in deep,giant-planet interiors.Based on a well-documented body of work in this field of high-pressure research,we elucidate the fundamental principles that govern the chemistry of dense solids under extreme conditions.These include:(i)the pressure-induced evolution of chemical bonding and structure of molecular solids to extended covalent solids,ionic solids and,ultimately,metallic solids,as pressure increases to the terapascal regime;(ii)novel properties and complex transition mechanisms,arising from the subtle balance between electron hybridization(bonding)and electrostatic interaction(packing)in densely packed solids;and(iii)new dense framework solids with high energy densities,and with tunable properties and stabilities under ambient conditions.Examples are taken primarily fromlow-Z molecular systems that have scientific implications for giant-planet models,condensed materials physics,and solid-state core-electron chemistry. 展开更多
关键词 SOLIDS BONDING EXTREME
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Thermochemistry on Coordination Behavior of Neodymium Chloride Hydrate with Diethylammonium Diethyldithiocarbamate 被引量:2
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作者 任宜霞 焦宝娟 +4 位作者 陈三平 高胜利 赵凤起 胡荣祖 史启祯 《Journal of Rare Earths》 SCIE EI CAS CSCD 2004年第2期210-214,共5页
The complex of neodymium chloride lower hydrate with diethylammonium diethyldithiocarbamate (D-DDC) was synthesized conveniently in absolute alcohol and dry N_2 atmosphere. The title complex was identified as Et_2NH_2... The complex of neodymium chloride lower hydrate with diethylammonium diethyldithiocarbamate (D-DDC) was synthesized conveniently in absolute alcohol and dry N_2 atmosphere. The title complex was identified as Et_2NH_2[Nd(S_2CNEt_2)_4] by chemical and elemental analyses and the bonding characteristics of which was characterized by IR. The enthalpies of solution of neodymium chloride hydrate and D-DDC in absolute alcohol at 298.15 K and the enthalpies change of liquid-phase reaction of formation for Et_2NH_2[Nd (S_2CNEt_2)_4] at different temperatures were determined by microcalorimetry. On the basis of experimental and calculated results, three thermodynamic parameters (the activation enthalpy, the activation entropy and the activation free energy), the rate constant and three kinetic parameters (the apparent activation energy, the pre-exponential constant and the reaction order) of liquid-phase reaction of formation were obtained. The enthalpy change of the solid-phase title reaction at 298.15 K was calculated by a thermochemical cycle. 展开更多
关键词 physical chemistry neodymium chloride hydrate diethylammonium dithyldithiocarbamate (D-DDC) (microcalorimetric) method THERMOCHEMISTRY rare earths
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Efficacious selective separation of U(Ⅵ) over Mo(Ⅵ) using novel 2,9-diamide-1,10-phenanthroline ligands: Liquid-liquid extraction and coordination chemistry 被引量:2
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作者 Taoyuan Xiu Simei Zhang +11 位作者 Peng Ren Siyan Liu Shuai Wang Hamza Shehzad Jingyang Wang Meng Zhang Guoan Ye Caishan Jiao Qunyan Wu Liyong Yuan Zhifang Chai Weiqun Shi 《Chinese Chemical Letters》 SCIE CAS CSCD 2023年第11期163-168,共6页
Uranium and molybdenum are important strategic elements. The production of ^(99)Mo and the hydrometallurgical process of uranium ore face difficult problems of separation of uranium and molybdenum.In this study, the f... Uranium and molybdenum are important strategic elements. The production of ^(99)Mo and the hydrometallurgical process of uranium ore face difficult problems of separation of uranium and molybdenum.In this study, the four phenanthroline diamide ligands were synthesized, and extraction and stripping experiments were performed under different conditions to evaluate the potential application of these ligands for separation of U(Ⅵ) over Mo(Ⅵ). With the growth of alkyl chain, the solubility of ligands could be greatly improved, and the separation effect of U(Ⅵ) over Mo(Ⅵ) gradually increased. The SF_(U/Mo) were around 10,000 at 4 mol/L HNO3. Three stripping agents were tested with the stripping efficiency of Na_(2)CO_(3)(5%) > H_(2)O > HNO_(3)(0.01 mol/L). The stripping percentages of the three stripping agents were all close to unity, indicating that the ligands had the potential to be recycled. The chemical stoichiometry of U(Ⅵ) complexes with ligands was evaluated as 1:1 using electrospray ionization mass spectrometry,ultraviolet visible spectroscopy and single-crystal X-ray diffraction. The consistency between theoretical calculation and experimental results further explains the coordination mechanism. 展开更多
关键词 Phenanthroline diamide ligand URANIUM MOLYBDENUM Solvent extraction Coordination chemistry
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Effect of model errors in ambient air humidity on the aerosol optical depth obtained via aerosol hygroscopicity in eastern China in the Atmospheric Chemistry and Climate Model Intercomparison Project datasets
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作者 CHANG Wenyuan 《Atmospheric and Oceanic Science Letters》 CSCD 2019年第3期162-169,共8页
This analysis of the multi-model aerosol optical depth (AOD) in eastern China using the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP) datasets shows that the global models underestimate the ... This analysis of the multi-model aerosol optical depth (AOD) in eastern China using the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP) datasets shows that the global models underestimate the AOD by 33% and 44% in southern and northern China, respectively, and decrease the relative humidity (RH) of the air in the surface layer to 71%–80%, which is less than the RH of 77%–92% in reanalysis meteorological datasets. This indicates that the low biases in the RH partially account for the errors in the AOD. The AOD is recalculated based on the model aerosol concentrations and the reanalysis humidity data. Improving the mean value of the RH increases the multi-model annual mean AOD by 45% in southern China and by 33% in June–August in northern China. This method of improving the AOD is successful in most of the ACCMIP models, but it is unlikely to be successful in GISS-E2-R, in which the plot of its AOD efficiency against RH strongly deviates from the rest of the models. The effect of the improvement in the modeled RH on the AOD depends on the concentration of aerosols. The shape error in the frequency distribution of the RH is likely to be more important than the error in the mean value of the RH, but this requires further research. 展开更多
关键词 Atmospheric Chemistry and Climate Model Intercomparison Project aerosol optical depth efficiency relative humidity aerosol hygroscopicity
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3D printed hybrid rocket fuels with μAl core-shell particles coated with polyvinylidene fluoride and polydopamine: Enhanced combustion characteristics 被引量:2
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作者 Qihang Chen Xiaolong Fu +6 位作者 Weitao Yang Suhang Chen Zhiming Guo Rui Hu Huijie Zhang Lianpeng Cui Xu Xia 《Defence Technology(防务技术)》 2025年第4期59-70,共12页
3D printing technology enhances the combustion characteristics of hybrid rocket fuels by enabling complex geometries. However, improvements in regression rates and energy properties of monotonous 3D printed fuels have... 3D printing technology enhances the combustion characteristics of hybrid rocket fuels by enabling complex geometries. However, improvements in regression rates and energy properties of monotonous 3D printed fuels have been limited. This study explores the impact of poly(vinylidene fluoride) and polydopamine-coated aluminum particles on the thermal and combustion properties of 3D printed hybrid rocket fuels. Physical self-assembly and anti-solvent methods were employed for constructing composite μAl particles. Characterization using SEM, XRD, XPS, FTIR, and μCT revealed a core-shell structure and homogeneous elemental distribution. Thermal analysis showed that PVDF coatings significantly increased the heat of combustion for aluminum particles, with maximum enhancement observed in μAl@PDA@PVDF(denoted as μAl@PF) at 6.20 k J/g. Subsequently, 3D printed fuels with varying pure and composite μAl particle contents were prepared using 3D printing. Combustion tests indicated higher regression rates for Al@PF/Resin composites compared to pure resin, positively correlating with particle content. The fluorocarbon-alumina reaction during the combustion stage intensified Al particle combustion, reducing residue size. A comprehensive model based on experiments provides insights into the combustion process of PDA and PVDF-coated droplets. This study advances the design of 3D-printed hybrid rocket fuels, offering strategies to improve regression rates and energy release, crucial for enhancing solid fuel performance for hybrid propulsion. 展开更多
关键词 Hybrid propulsion Regression rate 3D print fuels Micro aluminum CORE-SHELL mAl@PDA@PVDF
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Finite element analysis and experimental study on the sealing performance of low-phenyl silicone rubber sealing rings 被引量:1
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作者 Ming Gao Dongkai Li +6 位作者 Kun Liu Shuliang Xu Feng Zhao Ben Guo Anhui Pan Xiao Xie Huanre Han 《Railway Sciences》 2025年第1期123-137,共15页
Purpose–The brake pipe system was an essential braking component of the railway freight trains,but the existing E-type sealing rings had problems such as insufficient low-temperature resistance,poor heat stability an... Purpose–The brake pipe system was an essential braking component of the railway freight trains,but the existing E-type sealing rings had problems such as insufficient low-temperature resistance,poor heat stability and short service life.To address these issues,low-phenyl silicone rubber was prepared and tested,and the finite element analysis and experimental studies on the sealing performance of its sealing rings were carried out.Design/methodology/approach–The low-temperature resistance and thermal stability of the prepared lowphenyl silicone rubber were studied using low-temperature tensile testing,differential scanning calorimetry,dynamic thermomechanical analysis and thermogravimetric analysis.The sealing performance of the lowphenyl silicone rubber sealing ring was studied by using finite element analysis software abaqus and experiments.Findings–The prepared low-phenyl silicone rubber sealing ring possessed excellent low-temperature resistance and thermal stability.According to the finite element analysis results,the finish of the flange sealing surface and groove outer edge should be ensured,and extrusion damage should be avoided.The sealing rings were more susceptible to damage in high compression ratio and/or low-temperature environments.When the sealing effect was ensured,a small compression ratio should be selected,and rubbers with hardness and elasticity less affected by temperature should be selected.The prepared low-phenyl silicone rubber sealing ring had zero leakage at both room temperature(RT)and�508C.Originality/value–The innovation of this study is that it provides valuable data and experience for the future development of the sealing rings used in the brake pipe flange joints of the railway freight cars in China. 展开更多
关键词 Low-phenyl silicone rubber Sealing ring Sealing performance Finite element analysis LEAKAGE
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Radiation reduction modification of sp^(2) carbon-conjugated covalent organic frameworks for enhanced photocatalytic chromium(Ⅵ) removal 被引量:1
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作者 Shouchao Zhong Yue Wang +6 位作者 Mingshu Xie Yiqian Wu Jiuqiang Li Jing Peng Liyong Yuan Maolin Zhai Weiqun Shi 《Chinese Chemical Letters》 2025年第5期277-282,共6页
A sp^(2) carbon-conjugated covalent organic framework (BDATN) was modified through γ-ray radiation reduction and subsequent acidification with hydrochloric acid to yield a novel functional COF (named rBDATN-HCl) for ... A sp^(2) carbon-conjugated covalent organic framework (BDATN) was modified through γ-ray radiation reduction and subsequent acidification with hydrochloric acid to yield a novel functional COF (named rBDATN-HCl) for Cr(Ⅵ) removal.The morphology and structure of rBDATN-HCl were analyzed and identified by SEM,FTIR,XRD and solid-state13C NMR.It is found that the active functional groups,such as hydroxyl and amide,were introduced into BDATN after radiation reduction and acidification.The prepared rBDATN-HCl demonstrates a photocatalytic reduction removal rate of Cr(Ⅵ) above 99%after 60min of illumination with a solid-liquid ratio of 0.5 mg/mL,showing outstanding performance,which is attributed to the increase of dispersibility and adsorption sites of r BDATN-HCl.In comparison to the cBDATN-HCl synthesized with chemical reduction,rBDATN-HCl exhibits a better photoreduction performance for Cr(Ⅵ),demonstrating the advantages of radiation preparation of rBDATN-HCl.It is expected that more functionalized sp^(2) carbon-conjugated COFs could be obtained by this radiation-induced reduction strategy. 展开更多
关键词 Covalent organic framework Gamma radiation Photocatalytic reduction CHROMIUM Water purification
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Efficient Electroreduction of CO_(2)to CH_(4)Over Amino Acid-Modified Copper Under Acidic Conditions 被引量:1
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作者 Yichi Zhang Yajuan Wan +8 位作者 Min Wang Xia Bai Zijun Zhang Yingxuan Liu Shuaiqiang Jia Mingyuan He Chunjun Chen Haihong Wu Buxing Han 《Carbon and Hydrogen》 2025年第1期5-9,共5页
Electroreduction of CO_(2) into CH_(4) under acidic conditions is a promising strategy for CO_(2) utilization,which allows for high CO_(2) conversion efficiency.However,the selectivity of CH_(4) is low because the hyd... Electroreduction of CO_(2) into CH_(4) under acidic conditions is a promising strategy for CO_(2) utilization,which allows for high CO_(2) conversion efficiency.However,the selectivity of CH_(4) is low because the hydrogen evolution reaction is enhanced under acidic conditions.Here,we report that the CO_(2) can be efficiently reduced into CH_(4) over a Cu catalyst by modifying with a glutamic acid molecule under acidic conditions.The CH_(4) Faradaic efficiency can reach 62.9% with a current density of 450 mA cm^(-2).Meanwhile,a single-pass carbon efficiency of 48.1% toward CH_(4) is achieved.Experiments revealed that the glutamic acid molecule can enhance the concentration of Kt on the surface of Cu,which can suppress the HER and promote CO_(2) reduction,resulting in high selectivity of CH_(4) under acidic conditions. 展开更多
关键词 carbon dioxide ELECTROCHEMICAL green chemistry METHANE molecular modification
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Synergistic effect of nitrocellulose coating on structural and reactivity stabilization of ammonium nitrate oxidizer 被引量:1
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作者 Amir Abdelaziz Djalal Trache +5 位作者 Ahmed Fouzi Tarchoun Hani Boukeciat Yash Pal Sourbh Thakur Weiqiang Pang Thomas M.Klapötke 《Defence Technology(防务技术)》 2025年第1期35-43,共9页
The present work aims to stabilize the room temperature allotropic transition of ammonium nitrate(AN)particles utilizing a microencapsulation technique,which involves solvent/non-solvent in which nitrocellulose(NC)has... The present work aims to stabilize the room temperature allotropic transition of ammonium nitrate(AN)particles utilizing a microencapsulation technique,which involves solvent/non-solvent in which nitrocellulose(NC)has been employed as a coating agent.The SEM micrographs revealed distinct features of both pure AN and NC,contrasting with the irregular granular surface topography of the coated AN particles,demonstrating the adherence of NC on the AN surface.Structural analysis via infrared spectroscopy(IR)demonstrated a successful association of AN and NC,with slight shifts observed in IR bands indicating interfacial interactions.Powder X-ray Diffraction(PXRD)analysis further elucidated the structural changes induced by the coating process,revealing that the NC coating altered the crystallization pattern of its pure form.Thermal analysis demonstrates distinct profiles for pure and coated AN,for which the coated sample exhibits a temperature increase and an enthalpy decrease of the room temperature allotropic transition by 6℃,and 36%,respectively.Furthermore,the presence of NC coating alters the intermolecular forces within the composite system,leading to a reduction in melting enthalpy of coated AN by~39%compared to pure AN.The thermal decomposition analysis shows a two-step thermolysis process for coated AN,with a significant increase in the released heat by about 78%accompanied by an increase in the activation barrier of NC and AN thermolysis,demonstrating a stabilized reactivity of the AN-NC particles.These findings highlight the synergistic effect of NC coating on AN particles,which contributed to a structural and reactive stabilization of both AN and NC,proving the potential application of NC-coated AN as a strategically advantageous oxidizer in composite solid propellant formulations. 展开更多
关键词 Ammonium nitrate NITROCELLULOSE STABILIZATION COATING Thermolysis kinetics
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Effect of Nitrocellulose-modified HTPB Binder on the Thermal Decomposition Behavior of Ammonium Nitrate/Magnesium Solid Propellant
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作者 Mohammed Jouini Amir Abdelaziz +4 位作者 Ahmed Fouzi Tarchoun Fateh Chalghoum Yash Pal Weiqiang Pang Djalal Trache 《火炸药学报》 北大核心 2025年第4期372-381,I0004,共11页
An energetic binder based on hydroxyl-terminated polybutadiene(HTPB),doped with different ratios of nitrocellulose(NC)(10%,20%,30%,and 50%),was developed to study the effect of NC doping on the thermal decomposition b... An energetic binder based on hydroxyl-terminated polybutadiene(HTPB),doped with different ratios of nitrocellulose(NC)(10%,20%,30%,and 50%),was developed to study the effect of NC doping on the thermal decomposition behavior of a composite propellant(CP)comprising ammonium nitrate(AN)as an oxidizer and magnesium(Mg)as a fuel.Optimization of the propellant formulation was conducted using Chemical Equilibrium with Applications-National Aeronautics and Space Administration(CEA-NASA)software,which demonstrated an increase in specific impulse by 12.09 s when the binder contained 50%NC.Fourier-transform infrared spectroscopy(FTIR)analysis confirmed the excellent compatibility between the components,and density measurements revealed an increase of 6.4%with a higher NC content.Morphological analysis using optical microscopy showed that NC doping improved the uniformity and compactness of the surface,reduced cavities,and achieved a more homogeneous particle distribution.Differential scanning calorimetry(DSC)analysis indicated a decrease in the decomposition temperature of the propellant as the NC content increased,while kinetic studies revealed a 48.68%reduction in the activation energy when 50%NC was incorporated into the binder.These findings suggest that the addition of NC enhances combustion efficiency and improves overall propellant performance.This study highlights the potential of the new HTPB-NC energetic binder as a promising approach for advancing solid propellant technology. 展开更多
关键词 physical chemistry composite propellant HTPB NITROCELLULOSE energetic binder thermal behavior
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Comparative Study of MnO_(2)and Fe_(2)O_(3)Composites on Toona ciliata-Derived Carbon for Sustainable Supercapacitor Applications
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作者 Dibyashree Shrestha 《Journal of Environmental & Earth Sciences》 2025年第7期240-259,共20页
Unmanaged wood waste,particularly in countries like Nepal,presents serious environmental concerns due to open burning and improper disposal,leading to carbon emissions,air pollution and land degradation.This study int... Unmanaged wood waste,particularly in countries like Nepal,presents serious environmental concerns due to open burning and improper disposal,leading to carbon emissions,air pollution and land degradation.This study introduces an environmentally sustainable strategy to upcycle Toona ciliata wood scrap—an abundant and underutilized lignocellulosic biomass—into high performance carbon electrodes for green energy storage applications.Activated carbon(TCWAC)was synthesized via single-step pyrolytic carbonization followed by phosphoric acid activation,yielding a material with high specific surface area,hierarchical porosity,and excellent electrical conductivity.Electrochemical measurements using a three-electrode configuration in 6 M KOH revealed optimized potential windows of -1.0 to -0.2 V(TCWAC),-1.2 to 0 V(TCWAC-Mn),and -1.15 to -0.4 V(TCWAC-Fe).TCWAC exhibited a specific capacitance of 156.3 Fg^(-1)at 1 Ag^(-1),with an energy density of 3.5 Whkg^(-1),and 80.2% capacity retention after 1000 charge-discharge cycles.Composites with MnO_(2)and Fe_(2)O_(3)were also evaluated.TWAC-Mn delivered 489.4 Fg^(-1),25.1 Whkg^(-1),and 99.1% retention,whereas,TWAC-Fe achieved 321.3 Fg^(-1),6.3 Whkg^(-1),and 90.3% retention.The superior performance of MnO_(2)is attributed to its multiple oxidation states,facilitating reversible faradaic redox and enhanced pseudocapacitance.This work offers the first direct,systematic comparison of MnO_(2)and Fe_(2)O_(3)composites on a common biomass-carbon matrix under identical synthesis and testing conditions.The finding provides mechanistic insight into charge storage behaviour and demonstrate a scalable route for converting biomass waste into sustainable electrode materials,contributing to cleaner energy solutions and improved biomass valorization. 展开更多
关键词 Toona ciliata Wood Scrap Activated Carbon Electrodes SUPERCAPACITOR MnO_(2)Composites Fe_(2)O_(3)Composites Sustainable Energy Storage
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Influencing factors and countermeasures of aging and yellowing on windshield rubber in high-speed train
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作者 Wei Du 《Railway Sciences》 2025年第5期580-597,共18页
Purpose–Regarding that Ultraviolet radiation,pollutant adsorption,and environmental changes may be the main reasons for the aging and yellowing on windshield rubber in high-speed trains,countermeasures are proposed t... Purpose–Regarding that Ultraviolet radiation,pollutant adsorption,and environmental changes may be the main reasons for the aging and yellowing on windshield rubber in high-speed trains,countermeasures are proposed to solve the aging and yellowing of windshield rubber and reduce the adverse effects caused by rubber yellowing.Design/methodology/approach–Scanning electron microscopy(SEM)and energy dispersive spectroscopy(EDS)were used to test the yellowed windshield rubber.Aging tests,including UVaging,natural aging and salt spray aging,were conducted to analyze the effects of aging on the windshield rubber.Different cleaning agents were selected to soak the windshield rubber,and the quality,hardness,and surface appearance of the rubber samples were tested.Findings–After UV aging,antioxidants migrated to the surface of the windshield rubber,but due to oxidation failure,they could not capture free radicals,leading to continued oxidation reactions within the material and resulting in yellowing of the rubber in a short period of time.Originality/value–Cleaning agents have a minimal impact on windshield rubber,UV aging has the greatest impact and natural aging is a gradual and slow deterioration process.Through daily deep cleaning and maintenance with protective agents at regular intervals,the deterioration of windshield rubber yellowing in high-speed trains can be effectively suppressed. 展开更多
关键词 High-speed train Windshield rubber Aging and yellowing COUNTERMEASURES
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Study on the reaction kinetics mechanism and properties of RDX/ADN/FKM2602 composite microspheres
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作者 Cenlin Pan Zhenhua Liu +5 位作者 Yubing Zhao Ning Liu Taixing Liang Xiaodong Li Jingyu Wang Xiaofeng Shi 《Defence Technology(防务技术)》 2025年第6期131-140,共10页
This study prepared a class of RDX-based composite microspheres(RAF)containing ADN and FKM2602.The reaction kinetics of RAF composite microspheres were effectively improved by maintaining the system's high energy ... This study prepared a class of RDX-based composite microspheres(RAF)containing ADN and FKM2602.The reaction kinetics of RAF composite microspheres were effectively improved by maintaining the system's high energy and safety performance.In the close packing state,when the heating rate is rapid,the thermal stability of RAF composite microspheres is better than that of RDX;the close packing state will reduce the degree of freedom of RDX and ADN reaction but will increase the degree of freedom of RAF composite microsphere reaction.The thermal conductivity of RAF composite microspheres is close to that of RDX.In the ignition experiment,the flame of RAF composite microspheres can be maintained without the external heat source.Regarding safety,the H50of RAF composite microspheres was 274.04%higher than that of RDX.The detonation velocity of RAF composite microspheres is slightly higher than that of raw material RDX.Overall,these findings highlight the effectiveness of ADN in enhancing the reaction kinetics of RDX-based composites. 展开更多
关键词 RDX Thermal analysis kinetics Model reconstruction Thermal conductivity
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Experimental study on the TNT equivalence for blast parameters in a confined space
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作者 Yu-lei Zhang Yan Liu +5 位作者 Pu Song Hao-zhe Liang Di Yang Lu Han Hai-yan Jiang Kai Zhong 《Defence Technology(防务技术)》 2025年第6期238-249,共12页
The concept of TNT(Trinitrotoluene,C_7H_5N_3O_6)equivalence is often invoked to evaluate the performance and predict the explosion parameters of different types of explosives.However,due to its low prediction accuracy... The concept of TNT(Trinitrotoluene,C_7H_5N_3O_6)equivalence is often invoked to evaluate the performance and predict the explosion parameters of different types of explosives.However,due to its low prediction accuracy and limited application range,the use of TNT equivalence for predicting explosion parameters in a confined space is rare.Compared with explosions in free fields,the process of explosive energy release in a confined space is closely related to various factors such as oxygen balance,combustible components content,and surrounding oxygen content.Studies have shown that in a confined space,negative oxygen balance explosives react with surrounding oxygen during afterburning,resulting in additional energy release and enhanced blast effects.The mechanism of energy release during afterburning is highly complex,making it challenging to determine the TNT equivalence for blast effects in a confined space.Therefore,this remains an active area of research.In this study,internal blast experiments were conducted using TNT and three other explosives under both air and N_2(Nitrogen)conditions to obtain explosion parameters including blast wave overpressure,quasi-static pressure,and temperature.The influences of oxygen balance and external oxygen content on energy release are analyzed.The author proposes principles for determining TNT equivalence for internal explosions while verifying the accuracy of obtained blast parameters through calculations based on TNT equivalence.These findings can serve as references for predicting blast performance. 展开更多
关键词 Explosion in confined space AFTERBURNING Oxygen balance Blast parameters TNT equivalence
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Study on the causes of weathering steel corrosion for railway freight cars with a load capacity of 70 tons
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作者 Wei Du Yi Wu +2 位作者 Zhongyu Yi Ruohan Xiang Yishuo Liu 《Railway Sciences》 2025年第3期356-374,共19页
Purpose-Weathering steel has excellent resistance to atmospheric corrosion,but still faces complex environmental corrosion problems during long-term operation.This paper mainly studies the corrosion problem of weather... Purpose-Weathering steel has excellent resistance to atmospheric corrosion,but still faces complex environmental corrosion problems during long-term operation.This paper mainly studies the corrosion problem of weather resistant steel materials for railway freight car bodies with a load capacity of 70 tons.Design/methodology/approach-The paper analyzes the corrosion characteristics of weather resistant steel materials for truck bodies through macroscopic and microscopic methods including metallographic microscopy,scanning electron microscopy,energy dispersive spectroscopy and X-ray diffraction.Electrochemical analysis shows that the rust layer on the surface of weathering steel changes the surface state of the material,and also proves that weathering steel used in trucks undergoes electrochemical corrosion under atmospheric corrosion.At the same time,ion chromatography technology is used to study the corrosive ions mainly present in the residual liquid and foam solution inside the vehicle body.Findings-The corrosion of truck body materials is mainly electrochemical corrosion,and the corrosion of door materials is more obvious than that of other parts.The corrosion products are mainly Fe oxides and hydroxides.There are high concentrations of Cl-and SO42-ions in the residual liquid and foam solution at the bottom of the freight car,which are the main factors causing corrosion of the railway freight car body.Originality/value-The foam adhesive around the door panel is in a moist state for a long time,and corrosive ions will accelerate the electrochemical corrosion of the weather resistant steel material of the door panel.Therefore,the corrosion of the cargo door panel is more severe than other components. 展开更多
关键词 Railway freight cars CORROSION Residual liquid Electrochemical corrosion
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Exploring Boundary Layer Physics and Atmospheric Chemistry in Megacities:Insights from the Beijing 325 m Meteorological Tower
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作者 Yele SUN Zifa WANG +8 位作者 Linlin WANG Xueling CHENG Weiqi XU Yu SHI Wei ZHOU Yan LI Fei HU Zhiqiu GAO Zhongxiang HONG 《Advances in Atmospheric Sciences》 2025年第4期713-730,共18页
The Beijing 325 m meteorological tower stands as a pivotal research platform for exploring atmospheric boundary layer physics and atmospheric chemistry.With a legacy spanning 45 years,the tower has played a crucial ro... The Beijing 325 m meteorological tower stands as a pivotal research platform for exploring atmospheric boundary layer physics and atmospheric chemistry.With a legacy spanning 45 years,the tower has played a crucial role in unraveling the complexities of urban air pollution,atmospheric processes,and climate change in Beijing,China.This review paper provides a comprehensive overview of the measurements on the tower over the past two decades.Through long-term comprehensive observations,researchers have elucidated the intricate relationships between anthropogenic emissions,meteorological dynamics,and atmospheric composition,shedding light on the drivers of air pollution and its impacts on public health.The vertical measurements on the tower also enable detailed investigations into boundary layer dynamics,turbulent mixing,and pollutant dispersion,providing invaluable data for validating chemical transport models.Key findings from the tower’s research include the identification of positive feedback mechanisms between aerosols and the boundary layer,the characterization of pollutant sources and transport pathways,the determination of fluxes of gaseous and particulate species,and the assessment of the effectiveness of pollution control measures.Additionally,isotopic measurements have provided new insights into the sources and formation processes of particulate matter and reactive nitrogen species.Finally,the paper outlines future directions for tower-based research,emphasizing the need for long-term comprehensive measurements,the development of innovative tower platforms,and integration of emerging technologies. 展开更多
关键词 meteorological tower boundary layer physics aerosol composition vertical distributions formation mechanisms aerosol-boundary interactions
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Research progress on lithium isotopes separation by chemical exchange with crown ethers decorated materials
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作者 Yi Fang Rui Ha +3 位作者 Jun Sun Xue Liu Xiang Dong Ding Wei Qun Shi 《Green Energy & Environment》 2025年第3期441-451,共11页
The separation of lithium isotopes (^(6)Li and ^(7)Li) is of great importance for the nuclear industry.The lithium amalgam method is the only lithium isotopes separation process in industry,and the extensive use of me... The separation of lithium isotopes (^(6)Li and ^(7)Li) is of great importance for the nuclear industry.The lithium amalgam method is the only lithium isotopes separation process in industry,and the extensive use of mercury has raised concerns about its potential environmental hazards,which have prompted the search for more efficient and environmentally friendly alternatives.Crown ethers can bind lithium ions highly selectively and separate lithium isotopes effectively.A chemical exchange-based lithium isotopes separation method using crown ether decorated materials could be a viable and cost-effective alternative to the lithium amalgam method.In this review,we provide a systematic summary of the recent advances in lithium isotopes separation using crown ethers decorated materials. 展开更多
关键词 Lithium isotopes SEPARATION Crown ether Chemical exchange
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Norbornene POSS crosslinked EPDM composites for thermal protection system:Significant boosting mechanical and ablation resistance
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作者 Xutao MA Xiaoyan MA +6 位作者 Shumeng WANG Peibo XU Zongwu ZHANG Peidong XU Shishan YANG Chengshuang ZHANG Xiao HOU 《Chinese Journal of Aeronautics》 2025年第12期496-515,共20页
As a lightweight nanomaterial,Polyhedral Oligomeric Silsesquioxane(POSS)is widely applied to ablation resistance modification of Ethylene-Propylene-Dine Monomer(EPDM)insulation layer in aerospace propulsion thermal pr... As a lightweight nanomaterial,Polyhedral Oligomeric Silsesquioxane(POSS)is widely applied to ablation resistance modification of Ethylene-Propylene-Dine Monomer(EPDM)insulation layer in aerospace propulsion thermal protection system.However,various structures of POSS can form different crosslinked structures within the EPDM,which can affect the insulation layer properties.Various functionality POSS,Mono-Norbornene POSS(MN-POSS)and TriNorbornene POSS(TN-POSS),were designed and synthesized to obtain crosslinked-modified EPDMs with enhanced mechanical properties and ablation resistance simultaneously,and the relationship between POSS functionality,the mechanical properties,ablation resistance,heat-shielding and thermal decomposition of EPDM/Aramid Fiber(AF)composites were explored comprehensively.MN-POSS and TN-POSS increased the tensile strength of EPDM composites by 25.3%and 75.2%respectively,reduced the linear ablation rate by 37.7%and 33.7%respectively,and reduced the back temperatures by 3.9°C and 3.3°C respectively.Under conditions of equal cage structure(T8),the suspended crosslinked structure caused by MN-POSS exhibited better ablation resistance and heat-shielding performance as well as thermal decomposition,and the anchored crosslinked structure caused by TN-POSS exhibited better tensile strength.The structural transformation indicates that the POSS nanocages can be transformed into a ceramic structure in cruel environments to resist the erosion of heat flow and enhance the ablation resistance of insulation layer. 展开更多
关键词 Ablative materials CROSSLINKING Mechanical properties Silicon compounds Thermal insulation
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