The structure–activity relationships of Rh/CeO_(2)-ZrO_(2) catalysts based on Rh metal size effect in the three-way catalytic reactions

With the continuous tightening of automotive emission regulations and the increasing promotion of energy-efficient hybrid vehicles,new challenges have arisen for the low-temperature performance of three-way catalysts(TWCs).To guide the design of next-generation TWCs,it is essential to further develop our understanding of the relationships between microstructure and catalytic performance.Here,Rh/CeO_(2)–ZrO_(2) catalysts were synthesized with different Rh metal dispersion by using a combination of the wet impregnation method and reduction treatment.These catalysts included Rh single-atom catalysts,cluster catalysts,and nanoparticle catalysts.The results showed that the Rh nanoparticle catalyst,with an average size of 1.9 nm,exhibited superior three-way catalytic performance compared to the other catalysts.Based on the catalytic activity in a series of simple reaction atmospheres such as CO+O_(2),NO+CO,and hydrocarbons(HCs)+O_(2) and operando infrared spectroscopy,we found that metallic Rh sites on Rh nanoparticles are the key factor responsible for the low-temperature catalytic performance.

Parallel algorithm of solidification process simulation for large-sized system of liquid metal atoms

A parallel arithmetic program for the molecular dynamics (MD) simulation study of a large sized system consisting of 50 000100 000 atoms of liquid metals is reformed, based on the cascade arithmetic program used for the molecular dynamics simulation study of a small sized system consisting of 5001 000 atoms. The program is used to simulate the rapid solidification processes of liquid metal Al system. Some new results, such as larger clusters composed of more than 36 smaller clusters (icosahedra or defect icosahedra) obtained in the system of 50 000 atoms, however, the larger clusters can not be seen in the small sized system of 5001 000 atoms. On the other hand, the results from this simulation study would be more closed to the real situation of the system under consideration because the influence of boundary conditions is decreased remarkably. It can be expected that from the parallel algorithm combined with the higher performance super computer, the total number of atoms in simulation system can be enlarged again up to tens, even hundreds times in the near future.

ULTRASONIC SEPARATION OF MICRO-SIZED INCLUSIONS IN MOLTEN METAL

The coagulation time and position of micro-sized non-metallic inclusions in molten metal during ultrasonic separation process were investigated, and the motion course of micro-sized non-metallic inclusions in an ultrasonic standing wave field was numerically simulated. The results of theoretical analysis and numerical simulation show that the movement of inclusions depends on the balance between the acoustic radiation force, effective buoyancy force and viscous drag force. It is presented that micro-sized inclusions, agglomerated at antinode-planes may be removed further with horizon tal ultrasound.``

CHEMICAL CHARACTERISTICS OF AEROSOLS IN THE KUROSHIO AREA——II.CHEMICAL FORMS AND SIZE DISTRIBUTIONS OF TRACE METALS

Aerosol samples were collected with a Sierrer Model 235 cascade impactor in the marine atmosphere over the Kuroshio area in consecutive four seasons from 1987 to 1988. Na, G, Al, V, and water soluble and acid soluble Mn, Fe, Pb, Cu, V, Cd were determined by neutron activation analysis and atomic absorption spectrophotometry, respectively. Seawater source chemical species in the aerosols appeared in high content in large over 3.6um diameter particles, and crustal source vanadium appeared in 3.6um diameter particles, but pollution source vanadium appeared in less than 0.52um diameter particles. Trace metals in the aerosols mostly had the highest concentration of water soluble metals on fine particles, and acid soluble metals on large particles. The concentrations of trace metals in the aerosols were higher in autumn and winter, lower in spring and summer.

PARTICULATE SIZE EFFECTS IN THE PARTICLE-REINFORCED METAL-MATRIX COMPOSITES

The influences of I,article size on the mechanical properties of the particulate metal matrix composite;are obviously displayed in the experimental observations. However, the phenomenon can not be predicted directly using the conventional elastic-plastic theory. It is because that no length scale parameters are involved in the conventional theory. In the present research, using the strain gradient plasticity theory, a systematic research of the particle size effect in the particulate metal matrix composite is carried out. The roles of many composite factors, such as: the particle size, the Young's modulus of the particle, the particle aspect ratio and volume fraction, as well as the plastic strain hardening exponent of the matrix material, are studied in detail. In order to obtain a general understanding for the composite behavior, two kinds of particle shapes, ellipsoid and cylinder, are considered to check the strength dependence of the smooth or non-smooth particle surface. Finally, the prediction results will be applied to the several experiments about the ceramic particle-reinforced metal-matrix composites. The material length scale parameter is predicted.

Size Effects for the Adsorption of Alkali Metal Atoms on the Si(001) Surface

The adsorptions of a series of alkali metal （AM） atoms, Li, Na, K, Rb and Cs, on a Si（001）-2 × 2 surface at 0.25 monolayer coverage have been investigated systematically by means of density functional theory calculations. The effects of the size of AM atoms on the Si（001） surface are focused in the present work by examining the most stable adsorption site, diffusion path, band structure, charge transfer, and the change of work function for different adsorbates. Our results suggest that, when the interactions among AM atoms are neglectable, these AM atoms can be divided into three classes. For Li and Na atoms, they show unique site preferences, and correspond to the strongest and weakest AM-Si interactions, respectively. In particular, the band structure calculation indicates that the nature of Li-Si interaction differs significantly from others. For the adsorptions of other AM atoms with larger size （namely, K, Rb and Cs）, the similarities in the atomic and electronic structures are observed, implying that the atom size has little influence on the adsorption behavior for these large AM atoms on the Si（001） surface.

Heavy Metals Distribution and Their Correlation with Clay Size Fraction in Stream Sediments of the Lesser Zab River at Northeastern Iraq

Heavy metals (i.e. Cr, Co, Ni, Cu, Zn, Rb, Sr, Ba, Pb, V and Ga) distribution and their correlation with clay fraction were investigated. Fifteen samples of stream sediments were collected from the Lesser Zab River (LZR), which represent one of three major tributaries of the Tigris River at north-eastern Iraq. Grain size distributions and textural composition indicate that these sediments are mainly characterized as clayey silt and silty sand. This indicates that the fluctuation in the relative variation of the grain size distribution in the studied sediments is due local contrast in the hydrological conditions, such as stream speed, energy of transportation and geological, geomorphological and climatic characterizations that influenced sediments properties. On the other hand, clay mineral assemblages consist of palygorskite, kaolinite, illite, chlorite and smectite, which in turn reveals that these sediments were derived from rocks of similar mineralogical and chemical composition as it is coincided with other published works. The clay mineral assemblages demonstrate that major phase transformations were not observed except for the palygorskite formation from smectite, since the minerals pair exhibit good negative correlation (-0.598) within the Lesser Zab River (LZR) sediments. To determine interrelation between the heavy metals and the clay fractions in the studied samples, correlation coefficients and factor analysis were performed. Heavy metals provide significant positive correlation with themselves and with Al2O3, Fe2O3 and MnO. In addition, the results of factor analysis extracted two major factors;the first factor loading with the highest percent of variation (60%) from the major (Fe2O3, Al2O3 and MnO in weight %), heavy metals and clay fraction. While the second factor with the (14%) of variance includes Cr and silt fraction, which indicate the affinity of the heavy metals being adsorbed onto solid phase like clay particles. These observations suggest that a common mechanism regulates the heavy metal abundance, and that their concentrations are significantly controlled by fine clay fractions, clay mineral abundance and ferro manganese oxides-hydroxides.

Effects of particle size on residual stresses of metal matrix composites

A finite element analysis was carned out on the development of residual stresses during the cooling process from the fabrication temperature in the SiCp reinforced Al matrix composites. In the simulation, the two-dimensional and random distribution multi-particle unit cell model and plane strain conditions were used. By incorporating the Taylor-based nonlocal plasticity theory, the effect of particle size on the nature, magnitude and distribution of residual stresses of the composites was studied. The magnitude thermal-stress-induced plastic deformation during cooling was also calculated. The results show similarities in the patterns of thermal residual stress and strain distributions for all ranges of particle size. However, they show differences in magnitude of thermal residual stress as a result of strain gradient effect. The average thermal residual stress increases with decreasing particle size, and the residual plastic strain decreases with decreasing particle size.

基于BAS算法优化的电弧增材制造焊道尺寸预测

目的为提高实际应用中电弧增材制造对工艺参数的选取效率及成形形貌的控制效果,建立高效且精准的成形尺寸预测模型,实现对焊道尺寸的合理预测。方法在单层单道CMT电弧增材制造实验的基础上,建立基于天牛须搜索算法(Beetle Antennae Search,BAS)优化BP神经网络的焊道尺寸预测模型,利用BAS算法实现对BP神经网络初始权值和阈值的优化,可以实现预测不同工艺参数(焊接速度、送丝速度、干伸长)下焊道的成形尺寸(熔宽、余高)。利用试验验证BAS-BP预测模型的性能,与现有模型进行对比,结果结果表明该模型具有较高精度的预测效果,能够有效映射工艺参数与焊道尺寸之间的非线性关系,印证了该模型具有良好的拟合和泛化能力,同时其对焊道熔宽和余高的预测误差分别不超过0.2、0.12 mm,预测平均误差率均不超过6%,相对于其他预测模型表现出较好的准确性和稳定性。结论BAS-BP神经网络预测模型的输出误差较小,网络训练收敛速度加快,避免了过拟合及欠拟合的风险,有效提高了预测模型的泛化能力和预测精度,可以实现一定工艺参数范围内的焊道尺寸预测,为后续电弧增材的实时预测及控制参数应用提供了技术支持。

Preparation of highly dispersed iron species over ZSM-5 with enhanced metal-support interaction through freeze-drying impregnation

Supported metal catalysts play a vital role in the chemical industry, and the metal-support interaction is an important property of the catalyst. However, in the traditional impregnation method, it is difficult to obtain sufficient metal-support interactions owing to the mobility of the metal precursor during evaporation drying. Here, freeze drying is applied during impregnation instead of evaporation drying for enhancing the metal-support interactions. 57 Fe ZSM-5 was chosen as a representative catalyst. A quantitative analysis was conducted based on Mossbauer spectroscopy. Compared with traditional evaporation-drying catalyst, freeze-drying catalyst has stronger metal-support interactions. In addition, more iron species are confined in the channel and smaller metal sizes and less diversity are obtained. The compositional change is also proved because of the superior performance of the freeze-drying catalyst during N2O decomposition. This method can be extended to other supported metal catalysts prepared through an impregnation method, which can be used to tune the metal-support interactions and metal sizes.

液相超声法制备金属及化合物量子点研究进展

量子点(Quantum Dots,QDs)的电子结构及光学性质等与传统材料显著不同,由于其独特的尺寸效应和表面效应而受到广泛关注,除金属硫化物量子点外,其他含金属元素的量子点有Ⅴ族金属单质、Ⅱ-Ⅵ族量子点、Ⅳ-Ⅵ族量子点及碳化物量子点等。液相超声法是一种制备量子点的重要手段,具有操作简单、反应速度快、产率高和粒径可控性好等优势。量子点具有可调控的光学性质、高量子效率和荧光亮度、优越的电子输运性能、良好的化学稳定性和生物兼容性等良好的特性,使其在光电子学、光催化和生物医学等领域得到了深入的研究。本文综述了超声法制备不同金属及金属化合物量子点的研究进展,并对其应用进行了归纳和总结。最后,对超声法制备金属单质及金属化合物量子点进行了展望。

硼基金属复合物的点火和燃烧特性研究进展

综述了近几年国内外硼基金属复合物点火和燃烧特性的最新研究进展,重点归纳了二元硼基金属复合物、三元硼基金属复合物和纳米硼基金属复合物的点火和燃烧研究现状,并对比了其优缺点,其中对二元硼基金属复合物的研究较为丰富,对三元硼基金属复合物的研究大多集中于制备方向,关于点火和燃烧特性研究较少,对纳米基金属复合物的点火燃烧机理尚不清楚。指出了硼基金属复合物未来的研究方向:(1)对于制备工艺较简单的二元硼基金属复合物,下一步应具体研究其工艺对产物性能的影响;(2)利用分子动力学和有限元分析的方法对其燃烧机理进一步分析;(3)关于纳米硼基金属复合物可考虑建立一种稳定悬浮液进一步探究其点火和燃烧机制。附参考文献71篇。

有机固废和煤掺烧对重金属及颗粒物生成的影响研究

有机固体废弃物(OSW)中含有多种重金属,燃烧过程会随烟气排放,造成一定的环境危害,因此对OSW和褐煤掺混燃烧过程灰分中的重金属迁移和颗粒物生成特性进行了实验研究。结果表明:燃料在燃烧过程中各种重金属的释放不单取决于燃料本身的质量浓度,而且和高温作用下的化学机制密切相关;混合燃料烟气中产生Pb、Cd、As元素的含量明显低于典型燃料和校核燃料单独燃烧时烟气中产生的重金属元素含量;而Cu、Zn、Co、Mn在飞灰中均有较高质量分数;800、850℃下选用的4种燃料制得的灰分的粒径分布均大致呈现单峰正态分布;当温度升高到900℃后,除产生小粒径灰分外,还可能会产生较大粒径的灰分颗粒。

毛白杨木材/MOF-5复合材料的制备及甲苯吸附性能研究

优化MOF-5的合成工艺,确定金属中心与有机配体的最佳配比,并基于最佳配比通过真空浸渍和水热作用在毛白杨木材孔隙内部原位合成MOF-5,制备毛白杨木材/MOF-5复合材料,并对毛白杨木材/MOF-5复合材料的微观形貌、结合机理、孔隙结构和甲苯吸附性能进行表征。结果表明,当金属中心与有机配体物质的量比为1∶3时,合成的MOF-5晶体粒径较小,BET比表面积为268.729 m^(2)/g,孔容为0.136 cm^(3)/g,且具备典型的MOF-5晶体X射线特征峰。在毛白杨木材孔隙内部原位合成的MOF-5的平均负载量为22.6%;红外光谱的分析结果显示MOF-5与毛白杨木材通过氢键和静电相互作用相结合。扫描电镜、压汞法和氮气吸/脱附测试的孔隙结构表明,MOF-5填充了毛白杨木材中的部分大孔和介孔,增加了微孔的比表面积和孔容。常温常压下毛白杨木材/MOF-5复合材料对甲苯的最大吸附量为16.07 cm^(3)/g,展现了较好的甲苯吸/脱附性能。毛白杨木材/MOF-5复合材料在气体吸附与分离领域展现了较好的应用潜力,这为速生木材作为吸附材料的功能化应用提供了参考。

飞灰粒径对金属波导内飞灰含碳量测量影响

微波衰减法是近年来在线测量粉煤灰含碳量的常见方法之一。然而,由于飞灰的取样位置及取样装置的差异,飞灰的粒径大小存在较大的不确定性,从而造成飞灰含碳量测量的误差较大。现有的含碳量拟合模型均以飞灰对特征频率信号的衰减与飞灰含碳量的关系为基础,存在着误差大、适应性差等问题。为了解决含碳量拟合模型误差大和适应性差等问题,提出使用信号的时域主峰衰减来代替信号在特征频率处的衰减作为飞灰含碳量在线拟合的优化方法。为了修正飞灰粒径不确定性引起的误差,在研究灰位和含碳量测量的基础上,比较了不同粒径范围的飞灰对灰位和飞灰含碳量测量的影响。结果表明:采用信号的时域峰值衰减来计算含碳量,其结果与实际值吻合良好;对于波导中相同质量的灰样,飞灰的粒径大小对灰位的测量精度没有显著的影响;当使用微波法测量波导内飞灰含碳量时,对于相同质量的灰样,随着飞灰粒径的减小,波导内飞灰对微波信号的衰减逐渐减小,从而使含碳量的测量值随着飞灰粒径的减小而增加。

保温缓冷条件对金川集团镍冶炼厂高镍锍结晶性能的影响

高镍锍在分选过程中存在铜镍矿物结晶粒度小,金属互含高等难题。金川集团镍冶炼厂为了改善铜、镍分选效果,提高产品质量,开展了高镍锍保温缓冷试验,并通过TG-DSC测试、粒径统计、MLA以及SEM检测,分析了缓冷条件对高镍锍结晶性能的影响。研究结果表明,辉铜矿的生长情况影响高镍锍中辉铜矿和锍镍矿互含情况,在最佳缓冷条下可得到晶粒粒度+74μm占比98%以上的辉铜矿晶体;SEM检测表明,最佳缓冷样品中辉铜矿区域Ni含量0.3%,硫镍矿Cu含量2.6%;MLA检测表明,最佳缓冷条件下,样品中辉铜矿和锍镍矿的单体解离度分别为93.97%和86.58%,与现场样品相比,控温缓冷后样品的性能得到了显著改善。

某废弃冶炼场地土壤不同粒径组分重金属的特征及其对修复策略的启示

颗粒粒径组分对土壤重金属的分布与赋存具有重要影响,而当前对受冶炼活动影响的不同区域间土壤各粒径组分重金属分布的比较研究较少。本研究以某废弃铅冶炼场地为研究对象,选取三个土壤剖面(冶炼固废堆存区、交通区和邻近的农田),对比研究了不同土壤颗粒粒径组分(>150、45~150和<45μm)中重金属的地球化学分布特征及赋存形态。结果显示,冶炼场地与周边农田土壤各粒径组分重金属的分布特征具有明显差异。随着粒径的增大,冶炼固废堆存区土壤重金属的富集因子从0.78增至1.14,这与该区粗粒废渣的堆放与机械混合相关;而农田土壤重金属的富集因子从1.49降至0.60,这与冶炼过程释放富集重金属的细颗粒沉降有关。同时,冶炼场地土壤的较粗组分(>45μm)具有较高的重金属质量负载量(>50%),且废渣颗粒对土壤重金属的贡献显著,故物理分离技术可用于该场地的土壤污染修复。此外,石膏和莫来石可能是该场地受冶炼活动影响土壤的指示矿物。本研究将冶炼活动影响与土壤不同粒径组分重金属的赋存形态相关联,对修复策略具有一定的指导意义。

纳米双金属多层膜力学行为的研究进展

纳米双金属多层膜是由2种金属按照一定的调制周期交替沉积而形成的一种层状薄膜材料,凭借着特殊的结构和优异的物理、化学和力学性能,在微机电系统、机械加工以及微电子器件等领域有着广泛的应用潜力,被国内外学者广泛关注和研究。针对近年来纳米金属多层膜力学行为的研究现状,围绕纳米金属多层膜的微观结构、力学性能及其内在塑性变形机制3个方面进行了综述。总结了纳米金属多层膜中的晶粒尺寸、孪晶以及异质界面等微观结构,分析了这些因素对其力学性能的影响,阐述了力学性能和塑性变形的尺寸效应,介绍了兼具良好强度和塑性的纳米金属多层膜设计策略,可通过控制多层膜的调制周期和引入合适的界面结构制备具有高强度/塑性的纳米金属多层膜,讨论了影响纳米金属多层膜塑性变形的内禀机制及主要影响因素。最后,对纳米金属多层膜未来的发展方向进行了分析和展望。

基于ANSYS的粉末精整压机主机结构设计与分析

粉末精整液压机的机架刚度和强度直接影响到设备的性能以及制件的精度,本文首先通过理论经验计算对5000 kN粉末精整液压机机架的各组成部分设计结果进行了初步定量分析,其次利用有限元分析软件ANSYS Workbench在施加工况载荷条件下对主机进行仿真,得到主机机身详细的应力、应变分布云图和最大变形情况.实验结果表明液压机主机在承受工况载荷的情况下,刚度和强度能够满足设计要求,仿真结果对粉末精整液压机机架的结构优化设计有一定的指导作用,同时也为工程实践提供定量的分析参考依据.

35CrMo钢蓄能器开裂原因

某公司生产的蓄能器在使用1 a后发生开裂现象。采用宏观观察、化学成分分析、力学性能测试、扫描电镜分析、金相检验等方法对蓄能器的开裂原因进行分析。结果表明:制做蓄能器壳体的35CrMo钢存在微裂纹;蓄能器工作时,内部介质气体和液压油产生的压力使微裂纹逐步扩展并贯穿管壁,导致蓄能器开裂。