Atomistic simulations for adsorption and separation of flue gas in MFI zeolite and MFI/MCM-41 micro/mesoporous composite

Adsorption of pure CO_(2) and N2 and separation of CO_(2)/N2 mixture in MFI zeolite and MFI/MCM-41 micro/mesoporous composite have been studied by using atomistic simulations.Fully atomistic models of MFI and MFI/MCM-41 are constructed and characterized.A bimodal pore size distribution is observed in MFI/MCM-41 from simulated small-and broad-angle X-ray diffrac-tion patterns.The density of MFI/MCM-41 is lower than MFI,while its free volume and specific surface area are greater than MFI due to the presence of mesopores.CO_(2) is preferentially adsorbed than N2,and thus,the loading and isosteric heat of CO_(2) are greater than N2 in both MFI and MFI/MCM-41.CO_(2) isotherm in MFI/MCM-41 is similar to that in MFI at low pressures,but resembles that in MCM-41 at high pressures.N2 shows similar amount of loading in MFI,MCM-41 and MFI/MCM-41.The selectivity of CO_(2) over N2 in the three adsorbents decreases in the order of MFI>MFI/MCM-41>MCM-41.With increasing pressure,the selectivity increases in MFI and MFI/MCM-41,but decreases in MCM-41.The self-diffusivity of CO_(2) and N2 in MFI decreases as loading increases,while in MFI/MCM-41,itfirst increases and then drops.

Hydrothermal Synthesis and Properties of Y-zeolite-containing Composite Material with Micro/mesoporous Structure

A Y-zeolite-containing composite material with micro/mesoporous structure had been synthesized from kaolin by means of the in-situ crystallization method. The obtained samples were investigated by XRD and BET methods. Evaluation of catalytic activity of both the commercial Y-zeolite and the novel Y-zeolite-containing composite material was carried out in the pulse micro-chromatography platform with two probe molecules of different molecular sizes： VGO feedstock and 1,3,5 tri-isopropyl benzene. It was found that the Y-zeolite-containing composite material was richer in external surface and meso-/macro-pores; the Y-zeolite-containing composite material demonstrated a smaller rate of deactivation compared to the commercial Y-zeolite.

Erosion Wear Behaviour of Kenaf/Glass Hybrid Polymer Composites

The awareness amongst the researchers to develop an environment friendly sustainable material leads to explore new class of plant-based fiber for making composites. Hybridization of such plant-based fiber with inclusion of engineered fiber is one of the promising methods to not only enhanced the mechanical performance but also suppressed the drawbacks that associate with such plant-based fiber to some extent. A usual hand lay-up method was taken-up in this work to fabricate four layered of hybrid kenaf(K)/glass(G)polyester laminates with different stacking order such as KKKK,KGKG,KGGK,GKKG and GGGG. The erosive character of the laminates was examined under three distinct particle velocities(48m/s, 70m/s,82m/s)and four different impact angles(30°, 45°, 60°, 90°). All fabricated laminates exhibited a semiductile character at lower velocities(48m/s and70m/s)as peak wear rate was observed at45° impact angle. However,they showed a semi-brittle character at high velocity(82m/s)as maximum rate of erosion was noticed at60° impact angle. Again,the influence of stacking order of piles on erosion wear was also clearly noticed. Moreover,the semi-brittle/semi-ductile characterization was also evidenced in accordance to the range of erosion efficiencies. The micro-structures of worn surfaces were inspected thoroughly from the images of scanning electron microscope(SEM)to evident the mechanism of erosion.

Synthesis,Characterization and Catalytic Properties of Mesoporous HPMo/SiO_2 Composite

A novel mesoporous HPMo/SiO2 composite was synthesized by the sol-gel method with triblock copolymer EO20PO70EO20 as template.The properties of the product were characterized by X-ray diffraction,transmission electron microscopy,N2 adsorption-desorption isotherms,Fourier transform infrared spectrometer and inductively-coupled plasma analysis.The experimental results show that the product has a very ordered hexagonal mesostructure,and the HPMo is immobilized into the framework of silica.The final mesoporous composite shows excellent stability in polar solvents.Results of catalytic tests indicate that the composite is an effective catalyst for oxidation of dibenzothiophen,and there are few activity losses even after the third cycle of uses.The high catalytic activity and good insolubility make it a promising catalyst in oxidative desulfurization process.

Synthesis, Characterization of Mesoporous Al-Mg Composite Oxide and Catalytic Performance for Oxyethylation of Fatty Alcohol

A mesoporous Al-Mg composite oxide with a hexagonal structure was synthesized with aluminium nitrate and magnesium nitrate as the reagents and sodium dodecyl sulfate（SDS） as the template in the presence of ethylenediamine. The XRD, nitrogen adsorption-desorption and TEM studies indicate that the composite has a hexagonal framework structure and an average pore diameter of 2. 6 nm. The TG/DTA spectra indicate that the decomposition and the removal of the occluded surfactant of the sample take place in a range of 230-550 ℃. The mesoporous Al-Mg composite oxide exhibites a highly catalytic activity for the oxyethylation of fatty alcohols. Narrow-range distributed ethoxylates are formed in the presence of the mesoporous Al-Mg composite oxide catalyst. The distribution selectivity coefficient（Cx） is 24 when the mesoporous Al-Mg composite oxide was used as a catalyst for the oxyethylation of octanol and the average adduct degree of ethoxylates is 6. 4.

Synthesis and Characterization of Worm-shaped Tubular Lanthanum Aluminum Composite Mesoporous Materials

The lanthanum aluminum mesoporous materials were synthesized using sodium dodecyl sulfate as a template agent by ultrasonic hydrothermal method.The resulting samples were characterized by low angle X-ray diffraction（XRD）,N2 adsorption-desorption studies,transmission electron microscopy（TEM）and surface morphology analysis（SEM）,surface acid（NH3-TPD）,reducibility properties（TPR）,X-ray energy dispersive spectrometer（EDS）and thermogravimetric analysis（TG/DTG）.A l/La composite mesoporous material were synthesized with n（Al）︰n（La）=70︰1.0,80°C of reaction temperature,20 h of reaction time,12 h of crystallization time,650°C of calcination temperature.The specific surface area of the sample is 273.90 m 2 ·g ？1 ,with the average diameter 5.642 nm and pore volume 0.2354 cm 3 ·g ？1 .The samples have mesoporous structure and its particles are similar to a worm-shaped tubular structure.The influence of calcination temperature on the surface physical and chemical properties of Al/La composited mesoporous materials was examined,and the results showed that the acid strength was increased but the amount of acidic sites is decreased as the calcination temperature increased.It was found that the sample calcined at 650°C had appropriate acid content,acid strength and better reducibility.

Characterization and adsorption behaviors of a novel synthesized mesoporous silica coated carbon composite

A novel mesoporous silica coated carbon composite(denoted SEG) with hierarchical pore structure has been successfully prepared in an aqueous solution that contains triblock copolymer template, aluminum chloride, siliceous source and expanded graphite. Textural property and morphology of the SEG composite were characterized by the combination of X-ray diffraction, N_2 adsorption–desorption, scanning electron microscopy,transmission electron microscopy and Fourier transform infrared measurements. Results show that mesoporous silica is steadily and uniformly grown on the surface of the graphite slices and the thickness of the silica layer can be finely tuned according to the silica/C molar ratio in the initial reaction solution. This newly synthesized SEG composite shows greatly increased adsorption capacity to methylene blue than the pristine expanded graphite in the batch tests. Both Langmuir and Frendlich models were further used to evaluate the adsorption isotherms of methylene blue over expanded graphite and SEG samples with different silica contents. Finally, pseudosecond-order model was used to describe the kinetics of methylene blue over expanded graphite and the silica-carbon composites.

Supramolecular-templated synthesis of mesoporous silica-zirconia nanocomposite

Mesoporous SiO2-ZrO7 nanocomposite was successfully prepared by using supramolecular tfiblock copolymer as the template through evaporation-induced self-assembly approach. The textural and structural properties were characterized by X-ray diffraction, nitrogen adsorption analysis, and transmission electron microscope. Comparison between pure mesoporous silica and mesoporous silica-zirconia nanocomposite was also presented in this work. The surface area, pore size, and pore volume decreased as the Zr doping in the mesoporous silica framework. But the obtained nanocomposite maintained the cubic Im3m-type mesoporous structure.

Removal of Microcystin-LR in lake water sample by hydrophilic mesoporous silica composites under high-throughput MALDI-TOF MS detection platform

Microcystins(MCs),a family of cyclic heptapeptide cyanotoxins,exists in aquatic environment where cyanobacterial bloom happens,which will accumulate in aquatic organisms and transfer through the food chain to higher trophic levels,posing a health risk to both animals and human bodies.Among various MCs,Microcystin-LR(MC-LR)is worthiest studied for its strong toxicity,ubiquity and widespread.Here in this work,iminodiacetic acid(IDA)decorated magnetic mesoporous silica(mSiO_(2))nanocomposites(Fe_(3)O_(4)@mSiO_(2)-IDA)were facilely synthesized which possessed the merits of large surface area(188.21 m^(2)/g),accessible porosity(2.66 nm),excellent hydrophilicity and rapid responsiveness to magnetic field.Then the composites were successfully employed to the removal process of Microcystin-LR in real water samples followed by Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry(MALDI-TOF MS)analysis,achieving the removal efficiency above 92.5%even after ten recycles of the composites.It provided a potential method for removing MC-LR in aqueous environment with high effectiveness,lower costs and less secondary contamination.

MICRO MECHANICAL ANALYSIS OF 3-D WOVEN COMPOSITES

A micro mechanical model is carried out to predict micro stresses and macro elastic properties of 3-D woven composites. A unit cell is composed of two phases. One is fiber yarn and the other is resin or fiber yarn in transverse. The additional shearing introduced by bending of fiber yarn is considered. The method to determine the microstructure is also discussed. This model is applied to the analysis of a 3-D woven graphite/epoxy composite. Micro stresses of the cell are studied, and then macro modulus is obtained by employing the average method. The predictions agree well with experimental results.

In-situ deposition of apatite layer to protect Mg-based composite fabricated via laser additive manufacturing

Biodegradable magnesium(Mg) and its alloy show huge potential as temporary bone substitute due to the favorable biocompatibility and mechanical compatibility. However, one issue deserves attention is the too fast degradation. In this work, mesoporous bioglass(MBG)with high pore volume(0.59 cc/g) and huge specific surface area(110.78 m^(2)/g) was synthesized using improved sol-gel method, and introduced into Mg-based composite via laser additive manufacturing. Immersion tests showed that the incorporated MBG served as powerful adsorption sites, which promoted the in-situ deposition of apatite by successively adsorbing Ca2+and HPO42-. Such dense apatite film acted as an efficient protection layer and enhanced the corrosion resistance of Mg matrix, which was proved by the electrochemical impedance spectroscopy measurements. Thereby, Mg based composite showed a significantly decreased degradation rate of 0.31 mm/year. Furthermore,MBG also improved the mechanical properties as well as cell behavior. This work highlighted the advantages of MBG in the fabrication of Mg-based implant with enhanced overall performance for orthopedic application.

Micro Mechanical Model of 3D Woven Composites

A combined beam model representing the periodicity of the microstructure and micro deformation of 3D woven composites is developed for predicting mechanical properties. The model considers the effects of off axial tension/compression and bending/shearing couplings as well as the mutual reactions of fiber yarns. The method determining microstructure by using woven parameters is described for a typical 3D woven composite material. An analytical cell, constructed by a minimum periodic section of yarn and interlayer matrix, is adopted. Micro stresses in the cell under in-plane tensile loading are obtained by using the proposed beam model and macro modulus is then obtained by the averaging method. Material tests and a 2D micro FEM analysis are made to evaluate this model. Analyses reveal that micro stress caused by tensile/bending coupling effect is not negligible in the stress analysis.

基于量子点@有序介孔复合材料的Micro⁃LED色转换特性

量子点(Quantum dots)由于具有优异的光电特性,广泛应用于发光与显示、太阳能电池、光催化等领域,它的发现和合成获得了2023年诺贝尔化学奖。采用量子点色转换的Micro-LED全彩化显示技术无需巨量转移,有望实现大规模量产,然而,量子点在高强度Micro-LED出光激发下的性能和寿命仍存在局限。基于此,本文研究了基于量子点@有序介孔(QDs@SBA-15)复合材料的Micro-LED色转换技术及其特性,有序介孔分子筛载体独特的孔道结构不仅能够有效提升Micro-LED色转换和光提取效率,且致密的有序介孔材料也一定程度上保障了量子点的稳定性。首先,通过时域有限差分方法(FDTD)建立了Micro-LED仿真模型,探究量子点粒径和有序介孔材料的孔径对光提取效率的影响;基于仿真结果指导,进一步采用物理共混法制备了QDs@SBA-15复合材料,通过透射光谱、荧光激发光谱、紫外-可见光吸收谱等手段对其进行表征并确定浓度配比;最后,将该复合材料与聚二甲基硅氧烷(PDMS)混合固化成膜,并研究了其光致发光性能。实验结果发现,量子点粒径和介孔材料孔径的匹配度以及量子点和有序介孔材料的比例浓度是影响QDs@SBA-15复合材料发光效率及Micro-LED色转换性能的关键因素;通过优化,所得复合材料可获得优异的发光性能以及良好的环境稳定性,相比于纯量子点色转换层,复合材料的光提取效率提升了81.73%,复合材料的环境稳定性提升了14.33%,以Micro-LED作为蓝光光源组成的三基色发光器件工作色域达到了104.52%NTSC。本研究为量子点色转换Micro-LED显示技术提供了理论指导,为实现Micro-LED全彩化开辟了新路径。

PLASTIC LIMIT ANALYSIS OF DUCTILE COMPOSITE STRUCTURES FROM MICRO-TO MACRO-MECHANICAL ANALYSIS

The load-bearing capacity of ductile composite structures comprised of periodic composites is studied by a combined micro/macromechanicai approach. Firstly, on the microscopic level, a representative volume element （RVE） is selected to reflect the microstructures of the composite materials and the constituents are assumed to be elastic perfectly-plastic. Based on the homogenization theory and the static limit theorem, an optimization formulation to directly calculate the macroscopic strength domain of the RVE is obtained. The finite element modeling of the static limit analysis is formulated as a nonlinear mathematical programming and solved by the sequential quadratic programming method, where the temperature parameter method is used to construct the self-stress field. Secondly, Hill＇s yield criterion is adopted to connect the micromechanicai and macromechanical analyses. And the limit loads of composite structures are worked out on the macroscopic scale. Finally, some examples and comparisons are shown.

Micro Model of Carbon Fiber/Cyanate Ester Composites and Analysis of Machining Damage Mechanism

Machining damage occurs on the surface of carbon fiber reinforced polymer (CFRP) composites during processing. In the current simulation model of CFRP, the initial defects on the carbon fiber and the periodic random distribution of the reinforcement phase in the matrix are not considered in detail, which makes the characteristics of the cutting model significantly different from the actual processing conditions. In this paper, a novel three-phase model of carbon fiber/cyanate ester composites is proposed to simulate the machining damage of the composites. The periodic random distribution of the carbon fiber reinforced phase in the matrix was realized using a double perturbation algorithm. To achieve the stochastic distribution of the strength of a single carbon fiber, a novel method that combines the Weibull intensity distribution theory with the Monte Carlo method is presented. The mechanical properties of the cyanate matrix were characterized by fitting the stress-strain curves, and the cohesive zone model was employed to simulate the interface. Based on the model, the machining damage mechanism of the composites was revealed using finite element simulations and by conducting a theoretical analysis. Furthermore, the milling surfaces of the composites were observed using a scanning electron microscope, to verify the accuracy of the simulation results. In this study, the simulations and theoretical analysis of the carbon fiber/cyanate ester composite processing were carried out based on a novel three-phase model, which revealed the material failure and machining damage mechanism more accurately.

Long-term Properties of Aeolian Sand-magnesium Oxychloride Cement Composites and Its Engineering Application

In order to prepare a new material with long-term stable performance,low cost,easy construction,and ecological environmental protection,the influence of aeolian sand on the compressive and flexural strength as well as micro morphology and phase composition of magnesium oxychloride cement(MOC)was studied.The experimental results indicate that,with the increase of content of doping sand,the compressive strength and flexural strength of MOC decrease significantly.However,when the quality ratio of aeolian sand and light burned magnesia powder is 1:8,the performance meets the actual engineering needs.Namely,the compressive strength of MOC is not less than 18 MPa,and flexural strength is not less than 4 MPa.Meanwhile,within 12 months of age,the compressive strength and flexural strength are stable.There is no obvious change in phase composition,and its main phase is still 5·1·8 phase.Microscopic appearance changes from needle-like to gel-like shape.Based on engineering applications,it is found that when the novel sand-fixing material is used in the field for one year,its macroscopic feature is not damaged,compressive strength and flexural strength are also more stable,phase composition negligibly changes,and micro morphology has also been turned into be gellike shape.These further confirm the long-term stability and weather resistance of MOC doping aeolian sand,providing theoretical and technical support for the widely application of MOC in the field of sand fixation in the future.

Stress and buckling analysis of a thick-walled micro sandwich panel with a flexible foam core and carbon nanotube reinforced composite (CNTRC) face sheets

In this paper,the stresses and buckling behaviors of a thick-walled mi-cro sandwich panel with a flexible foam core and carbon nanotube reinforced composite(CNTRC)face sheets are considered based on the high-order shear deformation theory(HSDT)and the modified couple stress theory(MCST).The governing equations of equi-librium are obtained based on the total potential energy principle.The effects of various parameters such as the aspect ratio,elastic foundation,temperature changes,and volume fraction of the canbon nanotubes(CNTs)on the critical buckling loads,normal stress,shear stress,and deflection of the thick-walled micro cylindrical sandwich panel consider-ing different distributions of CNTs are examined.The results are compared and validated with other studies,and showing an excellent compatibility.CNTs have become very use-ful and common candidates in sandwich structures,and they have been extensively used in many applications including nanotechnology,aerospace,and micro-structures.This paper also extends further applications of reinforced sandwich panels by providing the modified equations and formulae.

Preparation and corrosion resistance of the micro-arc oxidation coating on Al_2O_3f/ZL109 composites

A ceramic layer was prepared on the surface of Al2O3f/ZL109 composites by means of micro-arc oxidation （MAO） technique. The surface morphology and phase constituent of the ceramic layer were analyzed using scanning electron microscope and X-ray diffraction. The polarization curves of the composites before and after MAO treatment were measured and analyzed. The results showed that after Al2O3f/ZL109 composites were treated using MAO technique in silicate solution, the ceramic layer formed, and it was composed of Al, Si, and mullite phase. Al and Si came from Al alloy matrix of the composites, and the mullite phase formed in process of MAO. Al2O3 fiber in the composites affects the electric conductivity of the composites, the MAO reaction is promoted, and the cera- mic layer forming on the composite material side is slightly thicker than that on the Al alloy side. After Al2O3f/ZL109 composites were treated using MAO technique, the corro- sion resistance of the composites is significantly improved.

CORROSION AND MECHANICAL BEHAVIOR OF COPPER-NIOBIUM NANO-FILAMENTARY MICRO-COMPOSITES FOR HIGH PERFORMANCE ELECTRICAL CONDUCTOR WIRE

Corrosion behavior of heavily drawn bundled Copper-niobium filamentarymicro-composite was studied as a function of niobium content to develop the relationship betweenmicrostructure and corrosion behavior in aqueous 30 percent HCl-FeCl_3 solution. TEM observationrevealed that niobium filaments were distributed regularly in copper matrix along the sides of atriangular unit cell in the transverse section and more sub-grain boundaries were absorbed atcopper/niobium phase boundaries with increasing niobium content. The corrosion potential and rate inaqueous 30 percent HCl-10 percent FeCl_3 was-680.3m V_(SHE) and 1.179 X 10^(-5)A/cm^2. Thecorrosion potential and rate decreased as increasing niobium content and FeCl_3. The yield stresscan be described as the sum of the substructure strengthening component due to elongated grains,subgrains and/or cells, the phase boundary strengthening term associated with the Hall-Petch typeinteraction between dislocations and phase boundaries and precipitate strengthening component.

Comparative Study of Micro and Nano Size WO3/E44 Epoxy Composite as Gamma Radiation Shielding Using MCNP and Experiment

The radiation shielding characteristics of 50wt% WO3/E44 epoxy composite in various gamma energies from 80 keV to 1.33 MeV are investigated via the MCNP code. Thus two scales are considered for WOa filler particles： micro and nano with sizes of i #m and 5Onto, respectively. The simulation results show that W03 nano particles exhibit a larger increase in linear attenuation coefficient in comparison with micro size particles. Finally, validation of simulation results with the published experimental data shows a good agreement.