A Study on Solid/Melt Interfaces and the Formation of<100> Texture in Solidified FCC Metals

The (100) texture of solidified fcc metals, caused by the preferential (100) dendrite growth, could be closeIy related to solid/melt interfaces which behave differently along different crystallographic orientation. The stability and roughness of {111} and {100} solid/melt interfaces of fcc metals were investigated using a modified Temkin multi-layer model. It is demonstrated that {100}crystal/melt interface is more unstable and rougher than {111} interface. The effect of the stability of crystal/melt interface on the (100) texture formation in solidified fcc metals has been analysed and discussed.

INFLUENCE OF A MISORIENTATION ANGLE ON AN ENERGR OF THE SYMMETRIC GRAIN BOUNDARY IN FCC METALS

In the present work the research of grain boundary (CB) energy versus angle of misorientation in fcc metals Al, Cu, An and Ni was carried out. An axis of CB misorientation is a direction [100], angle of misorientation makes from 2皍p in 23*. The interatomic interaction was opproximated by Morse' s pair semi-empirical potential. Two variants of relaxation technique were used: (1) rigid relax- ation with the change of atom quantity per a GB (vacancy relaxation ) and (2) full atomic relaxation by a molecular static method. The obtained orientation dependence has a good agreement with experi- ment. There are cusps on a curve in the range of special GB angles.The comparison of obtained curves with calculated ones in model Van der Merwe was carried out. Dependencies obtained in our investiga- tions are not smooth and have an oscillatory character. The oscillations reflect a discrete structure of a lattice.

FCC催化剂传质性能与孔结构和酸性的关联性探究

为研究流化催化裂化(FCC)催化剂的传质性能与其孔结构和酸性的关联性,制备了3种具有不同孔结构和酸性的半合成FCC催化剂(CAT1、CAT2、CAT3),并对催化剂的孔结构和酸性进行了系统表征;选用萘、菲、吖啶作为探针分子,测试客体分子在催化剂上的吸附穿透性能,并考察了其传质性能;采用超分辨成像技术,对催化剂上酸中心转化能力进行了可视化分析。结果表明,通过选择合适的探针分子,可实现FCC催化剂对大分子的吸附行为差异性的有效辨析;FCC催化剂上大分子的传质性能取决于催化剂的孔结构和表面酸性;使用新型大孔基质材料可优化FCC催化剂的传质性能,提升FCC催化剂中Y分子筛上酸中心的转化能力。研究结果可为FCC催化剂传质构效关系的研究提供有效方案,并且可为高效FCC催化剂的设计提供理论指导。

FCC催化剂传质强化活性位利用效率的可视化分析

流化催化裂化(FCC)催化剂传质性能抑制活性位利用效率是影响其催化性能的关键因素,选用6种不同基质材料制备的FCC催化剂样品,在系统分析催化孔结构和酸性质的基础上,利用激光共聚焦荧光显微成像技术和吸附穿透曲线法模拟考察了重油大分子的传质扩散行为;并运用单分子荧光成像技术,以B酸中心催化噻吩低聚反应生成低聚物的数量作为判据考察了系列催化剂的活性位利用效率。研究发现,相比于传统的高岭土和拟薄水铝石作为基质材料,本课题组设计开发的大孔富B酸的基质材料(APM-9)明显优化了大分子在FCC催化剂上的传质性能,从而显著提升了活性位的利用效率。发展了一种新颖的FCC催化剂结构参数与其传质性能、酸中心利用效率构效关系建立的方法,可为催化剂基质材料的设计和优化提供数据支撑和理论指导。

ISOTROPIC YIELD BEHAVIORS OF BCC AND FCC METALS

Isotropic yield surfaces of bcc and fec metals have been simulated with TBH theory.Using the five-dimensional stress space proposed recently by Lequeu et al.,the yield subsurfaces on any two of the three shear stresses can be considered as the inscribed circles of their corresponding subsurfaces on n plane.Based on this concept,Hershey,Hosford and Hill (HHH) yield func- tion has been transformed into the formula where the parameters are uniquely determined by two crystallographic factors:the mean Taylor factor in plane strain (M_p) and the critical shear stress (τ_) on slip systems.

Quasicontinuum simulation of indentation on FCC metals

Quasicontinuum simulations were performed to study the processes of incipient plastic deformation on three FCC metals (Ag,Ni and Pd) under the action of a rigid indenter.Four widths (9.3,18.6,27.9 and 37.2 ) of the indenters were modelled for each metal specimen.A series of load-displacement responses and the strain energy versus displacement responses of the indenter were presented.It is shown that the abrupt drop of the load in the load-displacement response is triggered by the nucleation of dislocations in the metals.The critical load of each metal specimen increases with the increase of the indenter width,while the hardness of the metal specimen decreases as the indenter width increases.Furthermore,the microscopic mechanism of deformation in the films was analyzed.Two dislocations are nucleated respectively beneath the right and left sides of the indenter.Each dislocation successively decomposes into two Shockley partial dislocations after the first nucleation process.The distances between the two partial dislocations are equal for both sides of the indenter,which are in agreement with the theoretical values.

Corrosion behavior of pure metals(Ni and Ti)and alloys(316H SS and GH3535)in liquid GaInSn

In this study,the interactions between a Ga-based liquid metal,GaInSn,and several metal materials,including pure metals(Ni and Ti)and alloys(316H stainless steel(SS)and GH3535),at 650℃were investigated.The aim was to evaluate the corrosion performance and select a suitable candidate material for use as a molten salt manometer diaphragm in thermal energy storage systems.The results indicated that the alloys(316H SS and GH3535)exhibited less corrosion than pure metals(Ni and Ti)in liquid GaInSn.Ga-rich binary intermetallic compounds were found to form on the surfaces of all the tested metal materials exposed to liquid GaInSn,as a result of the decomposition of liquid GaInSn and its reaction with the constituent elements of the metal materials.The corrosion mechanism for all the tested materials exposed to liquid GaInSn was also investigated and proposed,which may aid in selecting the optimal candidate material when liquid GaInSn is used as the pressure-sensing medium.

FCC废催化剂有价金属提取及无害化处置工艺研究

流体催化裂化(Fluid Catalytic Cracking,FCC)是石油精炼厂的核心工艺,可以将原油中高沸点、高分子量的烃类组分转化为更有价值的汽油、烯烃气体和其他产品。但是,在使用过程中,FCC催化剂容易受到镍污染而失去活性。FCC废催化剂属于危险废物,我国FCC废催化剂产生量大,环境污染风险高,无害化处置压力大。为了提取FCC废催化剂中有价金属,分别开展酸浸试验、还原焙烧-氨浸试验、氯化焙烧试验和还原熔炼试验。结果发现,还原熔炼工艺脱镍效果最好。还原熔炼温度大于1 450 ℃,保温时间为1 h,氧化铁添加量为11%,煤粉添加量为5%时,熔炼渣镍含量小于0.1%,满足相关要求,镍的脱除率大于90%。还原熔炼工艺能够有效提取FCC废催化剂中的有价金属,实现废催化剂的资源化利用,显著降低废催化剂的排放量。

废FCC催化剂提钒制备硫酸氧钒电解液

钒电解液作为全钒液流电池的离子导体,其纯度、工艺路线等因素是决定电池性能与商业化生产的关键。利用废FCC催化剂为原料,经过浸出、萃取及反萃取等一系列工艺制备全钒液流电池用电解液。系统考察了油相与水相的体积比(相比)、时间、pH等条件对萃取及反萃取过程的影响。ICP-OES测试结果表明:采用20%P204+5%TBP+75%磺化煤油作为萃取体系,萃原液pH为2.2、相比(O/A)为1∶3、萃取时间6 min,钒的一次萃取率可达90.2%;以1 mol·L^(-1)的硫酸作为反萃剂,相比(O/A)为1∶1、反萃时间6 min,钒的反萃率大于96%。通过进一步的除杂、富集、浓缩得到硫酸氧钒电解液,钒的质量浓度约为86 g·L^(-1),杂质离子总质量浓度小于500 mg·L^(-1)。

工艺条件对FCC轻汽油催化裂解生产低碳烯烃的影响

使用200 m L固定床反应器,在专用催化剂作用下,考察了工艺条件对催化裂化(FCC)轻汽油原料催化裂解生产低碳烯烃反应性能的影响。结果表明:在专用催化剂作用下,FCC轻汽油原料经催化裂解可制得低碳烯烃中的乙烯、丙烯和丁烯,并且产物中的m(丙烯)/m(乙烯)大于1.40,远高于其经蒸汽热裂解增产丙烯工艺下的0.43;反应温度对C_(≥5)液相产物组成中的芳烃收率增幅影响很大;较高的质量空速不利于低碳烯烃的生成;去离子水的存在及增多,不仅促进丙烯的生成,还有利于抑制催化剂结焦生炭。在反应温度为500℃、液时质量空速为1.0 h^(-1)、反应压力为0.13 MPa、注水量[m(去离子水)/m(FCC轻汽油原料)]为40%的催化裂解优化工艺条件下,丙烯、乙烯、丁烯收率分别达4.44%,9.87%,8.27%,m(丙烯)/m(乙烯)达2.22。

From Topological Nodal-Line Semimetals to Quantum Spin Hall Insulators in Tetragonal SnX Monolayers(X=F,Cl,Br,I)

Two-dimensional(2D)topological materials have recently garnered significant interest due to their profound physical properties and promising applications for future quantum nanoelectronics.Achieving various topological states within one type of materials is,however,seldom reported.Based on first-principles calculations and tightbinding models,we investigate topological electronic states in a novel family of 2D halogenated tetragonal stanene(T-SnX,X=F,Cl,Br,I).All the four monolayers are found to be unusual topological nodal-line semimetals(NLSs),protected by a glide mirror symmetry.When spin-orbit coupling(SOC)is turned on,T-SnF and TSnCl are still ascertained as topological NLSs due to the remaining band inversion,primarily composed of Sn pxy orbitals,while T-Sn Br and T-SnI become quantum spin Hall insulators.The phase transition is ascribed to moving up in energy of Sn s orbitals and increasing of SOC strengths.The topology origin in the materials is uniformly rationalized through elementary band representations.The robust and diverse topological states found in the 2D T-SnX monolayers position them as an excellent material platform for development of innovative topological electronics.

Analysis and Assessment on the Heavy Metals in a Severely Degraded Subtropical Red Soil Region

5 different forests of Pinus massoniana, Schima superba, Liquidambar formosana, P. massoniana × S. superba, P. massoniana × L. formosana as the research object were set up to study the Cr, Cu and Zn content of degraded red soil region in subtropics. The soil heavy metal pollution degree was evaluated by national environmental quality standard (II class). The results showed that three soil metals of P. massoniana × S. superba were the highest, and the soil metals enrichment ability was strong. The order of single factor pollution index of metal elements was Cu (1.38) > Cr (0.81) > Zn (0.42), and moderately pollution, pollution warning and no pollution, respectively. There was no significant correlation between three soil heavy metals and soil total carbon (TC), total nitrogen (TN) and total phosphorus (TP). These results suggested that the accumulation of heavy metal elements was not derived from the parent material of soil. There was a significant positive correlation between the three metal elements which indicated that the sources of the three elements were similar. The structural equation model showed that the direct and indirect effects among the influencing factors ultimately affected the activity of heavy metals by cascade effects.

A Data-driven Model to Reduce Outlet NO_(x)Concentration of SCR System in FCC Unit

Samples(25500)were collected from a selective catalytic reduction(SCR)denitrification system in a fluid catalytic cracking unit and preprocessed using the quartile method and the K-nearest neighbors interpolation method to remove outliers.Using the Pearson correlation coefficient and LightGBM feature score method,13 key operational variables were identified and used to establish a model to predict outlet nitrogen oxide(NO_(x))concentration in an SCR system with backpropagation neural network,long short-term memory(LSTM)and LSTM-attention fully connected(FC)model,respectively.The LSTM-attention FC model showed better accuracy and generalization capability compared with other models.Its mean square error,mean absolute error,and coefficient of determination on the training and test datasets were 11.32 and 12.51,3.65%and 3.97%,and 0.96 and 0.94,respectively.Furthermore,a combination of the LSTM-attention FC model with a genetic algorithm used to optimize four feature variables including ammonia pressure compensation,inlet pressure,gas inlet upper temperature,and outlet ammonia concentration.The outlet NO_(x)concentration could be controlled below 80±3 mg/m^(3),and the ammonia slip concentration could be controlled below 0.1 mg/m^(3),demonstrating that the optimization model can provide effective guidance for reducing NO_(x)emissions and ammonia slip of SCR systems.

Microplastic and Heavy Metals Distributions in Urban Rivers Sediments,China

This study investigated the distribution of microplastics and heavy metals,along with the interaction between the two in the sediments of urban rivers in China.Results showed that the abundance of microplastics ranged from 2412±187.5 to 7638±1312items kg^(-1)dry sediment across different survey stations,with an average abundance at(4388±713)items kg^(-1)dry sediment.Upon further categorization,it was found that transparent fragments were the primary color and type of microplastics present.The potential ecological risk index(RI)of heavy metals in sediments suggested a low level of ecological risk within a majority of the urban rivers studied.Cd was identified as the main potential ecological risk factor in the sediments of the studied areas.There was a relatively good significant linear relationship between the RI of heavy metals and the abundance of microplastics,bolstering the linkage between these two environmental pollutants.However,the concentrations of heavy metals in microplastics were not dependent on their corresponding contents in sediments.In fact,the concentration of Cu,Cd,and As in microplastics were higher than those in the sediments.This finding confirmed that microplastics could serve as carriers of heavy metals and introduce potential risks to aquatic wildlife and human through the food chain.

Accumulation of Heavy Metals in Maga-Pouss Rice Fields (Far-North Region, Cameroon) and Transfer to Rice Grains

Monitoring of heavy metals contamination of agricultural products and their transfer and bioaccumulation in crops like rice has become a hot topic worldwide over the last two decades. The present study was carried out to determine the accumulation of heavy metals in rice fields and their transfer to rice grains. Soil, irrigation water and rice grains samples were gathered in Maga-Pouss, Far-North, Cameroon. Concentrations of six heavy metals (lead, cadmium, zinc, copper, iron and mercury) were evaluated by Atomic Absorption Spectrophotometer (AAS). Mercury was not detected in this study. Average concentrations of metals were in this order (in mg/kg): Fe (188.60 ± 97.06) > Pb (63.63 ± 7.11) > Cd (2.59 ± 0.29) > Zn (1.10 ± 1.05) > Cu (0.80 ± 0.73) in water and Pb (105.50 ± 31.11) > Fe (105.50 ± 31.11) > Cu (45.93 ± 14.39) > Zn (22.52 ± 6.40) > Cd (3.15 ± 0.49) in soil. Water in Maga-Pouss rice fields appears to be more harmful than the soil, notably for lead, cadmium and copper. In rice grains, heavy metals were found in this order (mg/kg): Fe (188.01 ± 82.62) > Cu (27.20 ± 0.00) > Zn (23.61 ± 12.42) > Pb (19.50 ± 19.91) > Cd (2.02 ± 1.05). The mean bioconcentration factor (BCF) of metals from soil to rice grains was in the following order: Fe (2.60) > Zn (1.05) > Cd (0.64) > Cu (0.59) > Pb (0.18). From water to rice grains, the order is: Cu (37.26) > Zn (22.49) > Cd (6.97) > Pb (2.74) > Fe (1.94). Rice field pH and electrical conductivity favored the uptake of lead, copper and cadmium by rice grains. The findings of this study will be good documentation for risk assessment, and decision-making by environmental managers in this region.

Single crystal growth and characterization of 166-type magnetic kagome metals

Kagome magnets were predicted to be a good platform to investigate correlated topology band structure,Chern quantum phase,and geometrical frustration due to their unique lattice geometry.Here we reported single crystal growth of 166-type kagome magnetic materials,including HfMn_(6)Sn_(6),ZrMn_(6)Sn_(6),GdMn_(6)Sn_(6)and GdV_(6)Sn_(6),by using the flux method with Sn as the flux.Among them,HfMn_(6)Sn_(6)and ZrMn_(6)Sn_(6)single crystals were grown for the first time.X-ray diffraction measurements reveal that all four samples crystallize in HfFe6Ge6-type hexagonal structure with space group P6/mmm.All samples show metallic behavior from temperature dependence of resistivity measurements,and the dominant carrier is hole,except for GdV6Sn6 which is electron dominated.All samples have magnetic order with different transition temperatures,HfMn_(6)Sn_(6),ZrMn_(6)Sn_(6)and GdV_(6)Sn_(6)are antiferromagnetic with TN of 541 K,466 K and 4 K respectively,while GdMn_(6)Sn_(6)is ferrimagnetic with the critical temperature of about 470 K.This study will enrich the research platform of magnetic kagome materials and help explore the novel quantum phenomena in these interesting materials.The dataset of specific crystal structure parameters for HfMn_(6)Sn_(6)are available in Science Data Bank,with the link.

Characterization of Nutrients,Heavy Metals,Petroleum and Their Impact on Phytoplankton in Laizhou Bay:Implications for Environmental Management and Monitoring

The Laizhou Bay(LB)represents a substantial ecological area that is vulnerable to human activities and confronts diverse environmental challenges.This study provides a comprehensive characterization of nutrients,petroleum,heavy metals,and phytoplankton community structure across seven distinct areas in LB.The results indicate relatively high concentrations of NO_(2)-N,SiO_(4)-Si,and NO_(3)-N in the Southwest Laizhou Bay(SWLB)and Huanghe River Estuary(HRE).In contrast,the East Laizhou bay(ELB)and the North of Huanghe River Estuary(NHRE)exhibit the highest concentrations of heavy metals(As,Cr and Hg).The areas with high phytoplankton density and community diversity are mainly located in the SWLB.After adjusting for basic environmental factors,phytoplankton density and Margalef richness index D are significantly associated with nutrients(NO_(3)-N,NO_(2)-N,NH_(4)-N,SiO_(4)-Si),and heavy metal(Cr)concentrations.We highlight that,in addition to Xiaoqinghe River,nutrients brought by the Mihe River in the SWLB and heavy metal(Cr)pollution in the ELB resulting from industrial and mining activities along the coast significantly influence phytoplankton growth and community structure.Therefore,it is recommended that more monitoring and management efforts be focused on these regions in the future.

Valuable metals recovery from spent ternary lithium-ion battery:A review

Ternary lithium-ion batteries(LIBs),widely used in new energy vehicles and electronic products,are known for their high en-ergy density,wide operating temperature range,and excellent cycling performance.With the rapid development of the battery industry,the recycling of spent ternary LIBs has become a hot topic because of their economic value and environmental concerns.To date,a con-siderable amount of literature has reported on the recycling of spent ternary LIBs designed to provide an efficient,economical,and envir-onmentally friendly method for battery recycling.This article examines the latest developments in various technologies for recycling spent ternary LIBs in both research and practical production,including pretreatment,pyrometallurgy,hydrometallurgy,pyro-hydrometallurgy,and direct regeneration.Suggestions for addressing challenges based on the benefits and disadvantages of each method are made.Finally,through a comparison of the feasibility and economic benefits of various technologies,the challenges faced during battery recycling are summarized,and future development directions are proposed.

Assessment of Heavy Metals Contamination of Topsoil and Street Dust around Cement Factory in Southern Jordan

Evaluation of assessment of the metal processes governing the metals distribution in soil and dust samples is very significant and protects the health of human and ecological system. Recently, special attention has given to the assessment of metals pollution impact on soil and dust within industrial areas. This study aims to assess the metal contamination levels in the topsoil and street dust around the cement factory in Qadissiya area, southern Jordan. The levels of seven metals (namely Fe, Zn, Cu, Pb, Cr, Cd, and Mn) were analyzed using Flame Atomic Absorption Spec-trophotometer (FAAS) to monitor, evaluate, and to compare topsoil and road dust pollution values of metals of the different types of urban area. The physicochemical parameters which believed to affect the mobility of metals in the soil of the study area were determined such as pH, EC, TOM, CaCO3 and CEC. The levels of metal in soil samples are greater on the surface but decrease in the lower part as a result of the basic nature of soil. The mean values of the metals in soil can be arranged in the following order: Zn > Pb > Mn > Fe > Cu > Cr > Cd. The relatively high concentration of metals in the soil sample was attributed to anthropogenic activities such as traffic emissions, cement factory and agricultural activities. Correlation coefficient analysis and the spatial distribution of indices and the results of statistical analysis indicate three groups of metals: Fe and Mn result by natural origin, Zn, Pb, Cu and Zn result by anthropogenic origin (mainly motor vehicle traffic and abrasion of tires) while Cd is mixed origin. The higher content level values of metals of anthropogenic source in soil samples indicate that it is a source of contamination of air in the studied area. .

Environmental characteristics of trace metals in seawater from the Ninety East Ridge in the Indian Ocean

The Ninety East Ridge in the Indian Ocean has complex and unique characteristics.The concentrations and distribution characteristics of 10 trace metals(V,Cr,Mn,Fe,Co,Ni,Cu,Cd,Pb,and U)in seawater from the Ninety East Ridge in the Indian Ocean were investigated.Results show that the average concentrations of different trace metals in all the collected seawater samples were 1.134μg/L for V,0.158μg/L for Cr,0.489μg/L for Mn,0.427μg/L for Fe,0.011μg/L for Co,0.395μg/L for Ni,0.403μg/L for Cu,0.097μg/L for Cd,0.139μg/L for Pb,and 3.470μg/L for U.Differences in the horizontal and vertical distributions of all measured trace metals were revealed,and the occurrence of high concentrations was nonuniform.In addition,the significant differences in the concentration distribution of different trace metals in seawater on both sides of the Ninety East Ridge present regional segmentation in the area for various trace metals in deep sea water.This study provided basic data for future investigations on the environmental and ecological impact of trace metals in the Indian Ocean and the potential water mass transport mechanism.