Using a test solution of NaCl in water for studying the finely dispersed spraying of liquids

Both theoretically and experimentally, the suitability of a technique for studying the finely dispersed spraying of liquids based on an analysis of salt residue particles formed as a result of evaporation of test solutions of NaCl in water was evaluated. Data gained in studying the dispersion of droplets in the droplet clouds produced by pulsed and ultrasonic atomizers are reported. During pulsed atomization, salt residue particles of various morphologies were found to form, this finding pointing to realization of unsteady conditions for particle evolution.     

Structural studies of nano silica employing on-line ultrasonic studies

Monodispersed, nano silica particles have been prepared by sol-gel hydrolysis and condensation of the metal alkoxide using pH buffer. The prepared particles are characterised by XRD, FTIR, BET, SEM, TEM measurements. The measurements reveal that the size and shape of silica particles depend on concentration of water. In addition, the ultrasonic longitudinal velocity and attenuation of the nano silica particles have been measured at a frequency of 5?MHz over a wide range of temperatures from 300?K to 1150?K in nano silica. The different structural transitions, such as monoclinic, orthorhombic, orthorhombic with a non-integral super lattice, stable orthorhombic and hexagonal, which exist in silica are explained based on on-line high-temperature ultrasonic velocity and attenuation measurements.     

Precipitation of calcium carbonate by ultrasonic irradiation

Supersaturated solution of calcium carbonate ([Ca²⁺]=1.2 mmol/L, [HCO₃⁻]=3.2 mmol/L, pH=8.8, T=30±0.5 °C), a scale forming component, was irradiated by an ultrasonic homogenizer (24 kHz, 15–250 W/cm²) to study the factors that affect its precipitation rate. The factors of (1) depth of horn immersion, (2) ultrasonic intensity and horn tip size and (3) cavitation, which can affect the precipitation rate were investigated in this study. Ultrasonic irradiation was observed to accelerate the precipitation of calcium carbonate and it was found that there exists an optimum range of horn immersion depth for maximizing the precipitation rate. The experimental data also established that the precipitation rate was proportional to ultrasonic intensity and diameter of horn tip. These findings were correlated to the effects of physical mixing, that arises due to ultrasonic irradiation. However, the effect of cavitation in accelerating the precipitation rate was found to be small. Thus it is forwarded that the physical mixing effect, especially macrostreaming is the main factor that accelerates the precipitation rate of calcium carbonate during ultrasonic treatment. Further, neither the morphology nor the size of the calcium carbonate crystals formed were found to be affected by the ultrasonic irradiation.     

Ultrasound-assisted synthesis of NiFe- layered double hydroxides as efficient electrode materials in supercapacitors

Under ultrasound irradiation, NiFe-layered double hydroxide (NiFe-LDH) nanostructures with three molar ratios and three dissimilar reaction times were prepared. The powder X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), and Fourier transform infrared spectroscopy (FT-IR) were employed to characterize the synthesized nanomaterials. Using a sonochemichal route, various morphologies of the NiFe-LDH nanostructures without any impurity and variations in the structure were produced. During the optimization process, it was found that sonication time and reagent concentration in a fixed irradiation frequency can affect the size and the morphology of the produced nanostructures. Under ultrasound irradiation, non-aggregated particles with uniform, spherical morphology were obtained with molar ratios of 4:1 (Ni:Fe) with 45 W at 180 min. The NiFe-LDH samples were observed to be supercapacitor under a 6 M KOH solution. When morphologically-controlled NiFe-LDH samples were used, the pseudo-capacitive behavior of the nanostructures was tuned. After 3 h of ultrasonic irradiation, the optimized sample (NiFe-LDH spherical nanostructures with 4:1 M ratio) had a high value of specific capacitance (168F g⁻¹).     

Interference of ultrasonic waves in heterogeneously dispersive sediments

It is experimentally demonstrated for the first time that the precipitation of a multitude of unconsolidated particles can be accompanied by the formation of a heterogeneously dispersive layer in which standing waves arise under the effect of propagating ultrasonic waves. The time required for such a layer to form from the multitude of particles is directly related to the individual properties of both the disperse phase and the dispersive medium. The experiments are performed at an ultrasonic frequency of 3 MHz. The disperse phase is represented by starch and Al₂O₃ particles, and the dispersive media are water and a glycerin solution.     

The effect of ultrasonic irradiation on the structure,morphology and photocatalytic performance of ZnO nanoparticles by sol-gel method

In this research, the effect of ultrasonic irradiation power (0, 75, 150 and 200 W) and time (0, 5, 15 and 20 min) on the structure, morphology and photocatalytic activity of zinc oxide nanoparticles synthesized by sol-gel method was investigated. Crystallographic structures and the morphologies of the resultant powders were determined by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The XRD patterns showed that ZnO samples were crystallized in their pure phase. The purity of samples was increased by increasing the ultrasonic irradiation power and time. Not only did ultrasonic irradiation unify both the structure and the morphology, but also it reduced the size and prohibited particles from aggregation. The optical behavior of the samples was studied by UV–vis spectroscopy. Photocatalytic activity of particles was measured by degradation of methyl orange under radiation of ultraviolet light. Ultrasound nanoparticles represented higher degradation compared to non-ultrasound ones.     

Oxygen vacancy formation and migration in Sr- and Mg-doped LaGaO₃ : a density functional theory study

Oxygen vacancy formation and migration in La0.9 Sr0.1 Ga0.8 Mg0.2O3δ (LSGM) with various crystal symmetries (cubic, rhombohedral, orthorhombic, and monoclinic) are studied by employing first-principles calculations based on density functional theory (DFT). It is shown that the cubic LSGM has the smallest band gap, oxygen vacancy formation energy, and migration barrier, while the other three structures give rise to much larger values for these quantities, implying the best oxygen ion conductivity of the cubic LSGM among the four crystal structures. In our calculations, one oxygen vacancy migration pathway is considered in the cubic and rhombohedral structures due to all the oxygen sites being equivalent in them, while two vacancy migration pathways with different migration barriers are found in the orthorhombic and monoclinic symmetries owing to the existence of nonequivalent O1 and O2 oxygen sites. The migration energies along the migration pathway linking the two O2 sites are obviously lower than those along the pathway linking the O1 and O2 sites. Considering the phase transitions at high temperatures, the results obtained in this paper can not only explain the experimentally observed different behaviours of the oxygen ionic conductivity of LSGM with different symmetries, but also predict the rational crystal structures of LSGM for solid oxide fuel cell applications.     

IrTi合金晶格动力学的第一性原理研究

利用密度泛函理论的平面波赝势方法研究了IrTi合金的晶格动力学行为. 声子谱计算表明四方(L1₀)结构动力学不稳定,通过冷冻不稳定声子模式, 发现IrTi会发生从四方(L1₀)到正交的结构相变.进一步分析软模对应的原子振动, 得到了具有正交对称性,空间群为Cmmm,相对于四方(L1₀)相能量更低、更稳定的结构. 这种正交新相(Cmmm)弹性稳定和动力学稳定,而且其结构参数与实验上观察到的低温结构有限的晶格参数相符合,表明IrTi合金的低温相是正交结构(Cmmm). 从理论上肯定了IrTi合金立方到四方再到正交的相变机制, 解决了实验上关于相变机制和低温相结构形式的争议.     

Fascinating morphologies of lead tungstate nanostructures by chimie douce approach

Lead tungstate occurs in nature as tetragonal stolzite of scheelite (CaWO₄) type and monoclinic raspite. In this work, we report, the typical growth of snowflake-like tetragonal stolzite and bamboo-leaf-like monoclinic raspite nanocrystals of PbWO₄ via a simple aqueous precipitation method and a polyol (polyethylene glycol-200) mediated precipitation method at room temperature (27 °C). The synthesised PbWO₄ nanocrystals were characterised by XRD, SEM, EDAX and TGA–DTA. The UV-Vis absorption and photoluminescence studies of PbWO₄ nanocrystals in the two morphologies were performed. The nuclei of PbWO₄ nanocrystals in aqueous medium self-assemble in a tetragonal manner to form the snowflake-like crystals. In polyol medium, PbWO₄ nuclei preferentially grow by oriented attachment process to form the bamboo-leaf-like morphology. The specific morphology of the regularly assembled PbWO₄ nanocrystals in the two phases finds applications in nanoelectronics and photonics. Compared to other well-known scintillators, PbWO₄ is most attractive for high-energy physics applications, because of its high density, short decay time and high irradiation damage resistance.     

聚乙烯结晶区的交叉极化动力学研究

研究了单轴拉伸的聚乙烯（PE）纤维结晶区的¹H-¹³C交叉极化（CP）动力学,发现在魔角旋转(MAS)条件下,质子的同核偶极相互作用变弱,其CP动力学可以用I-I*-S模型描述. 沿MAS转轴整齐排列的纤维样品CP动力学曲线随接触时间的增加振荡上升,与斜方晶相比,单斜晶曲线的振荡更为明显, 而非取向样品的CP动力学曲线则单调上升. 说明经过单轴拉伸的PE样品中斜方晶和单斜晶都在一定程度上沿着拉伸方向排列,而单斜晶的取向度高于斜方晶,上述结果表明测量在MAS条件下的CP动力学可以成为表征分子取向度的一种新方法.     

NMR paramagnetic relaxation enhancement: test of the controlling influence of zfs rhombicity for S = 1

Prior theoretical work has predicted that the NMR paramagnetic relaxation enhancement (NMR-PRE) produced by electron spin S = 1 ions is highly sensitive to orthorhombic terms in the static zero field splitting (zfs) tensor. Zfs orthorhombicity (which implies chemical inequivalence of the three principal directions of the zfs-principal axis system and is described by the zfs E-parameter) is predicted to suppress the NMR-PRE profoundly relative to the reference cylindrical zfs-limit situation. This expectation was tested experimentally by a comparison of the zfs-limit NMR-PRE produced by [Ni(II)(en)(3)](2+) (en = ethylenediamine), a trigonal complex which lacks zfs-rhombicity, with the zfs-limit NMR-PRE produced by two orthorhombic complexes, [Ni(II)(en)(2)(H(2)O)(2)](2+) and [Ni(II)(en)(H(2)O)(4)](2+). As predicted, the zfs-limit NMR-PRE produced by the orthorhombic complexes in the proton resonance of a dioxane probe species in the solvent was strongly suppressed (by factors of approximately 5 and 7, respectively) relative to the comparable measurement on the trigonal complex. The suppression of the NMR-PRE due to the orthorhombic zfs terms is counteracted by an applied Zeeman field, leading to a predicted rise in the NMR-PRE with increasing Zeeman field strength; this rise occurs when the Zeeman energy is comparable to the orthorhombic zfs splitting, 2E. This second prediction of theory was likewise confirmed: the expected rhombicity-induced magnetic field dependence in the NMR-PRE was observed for the orthorhombic complexes but not for the trigonal complex.     

光谱法研究纳米二氧化硅(SiO_2)催化超声波照射对牛血清白蛋白(BSA)的损伤

利用紫外-可见(Uv-Vis)光谱和荧光光谱研究了超声波照射激活纳米二氧化硅(SiO2)粒子对牛血清白蛋白(BSA)分子的损伤,并考查了超声波照射时间、纳米SiO2粉末加入量、溶液酸度和超声波照射功率等因素对BSA分子损伤程度的影响.结果表明,对于体系温度为(37.0±0.2)℃和浓度为1.0×10-5mol·-1的BSA溶液,UV-Vis光谱显示,随着超声波照射时间,纳米SiO2粉末加入量,溶液pH值和照射功率的增大呈现出越来越明显的增色效应.然而,BSA溶液的荧光光谱却随着上述因素的增大呈现出越来越明显的猝灭现象.此外,还初步探讨了超声波照射激活纳米siO2粒子对BSA分子损伤的机理,认为是声致发光或高热激发使纳米siO2粒子产生·OH自由基,进而损伤溶液中的BSA分子.这一研究结果对声催化方法应用于临床治疗肿瘤以及纳米药物的开发具有一定的指导意义.     

Ultrasonic-assisted synthesis of highly dispersed MoO3 nanospheres using 3-mercaptopropyltrimethoxysilane

With ultrasonic irradiation as assistance, highly dispersed MoO(3) nanospheres were synthesized using silane coupling agent 3-mercaptopropyltrimethoxysilane HS-(CH(2))(3)Si(OCH(3))(3) (MPTS) as figuration agent. The results of X-ray powder diffractometer (XRD) showed that the precursor was hexagonal molybdenum oxide hydrate (MoO(3).0.55H(2)O). It was converted into orthorhombic MoO(3) after annealed at 400 degrees C for 2h. Transmission electron microscopy (TEM) showed that MoO(3).0.55H(2)O and MoO(3) nanoparticles were spherical with particle-size distribution of ca. 30-80 nm and 25-75 nm, respectively. Results indicated that MPTS and ultrasonic irradiation played important role in formation of highly dispersed MoO(3) nanospheres. X-ray photoelectron spectroscopy (XPS) was also adopted to confirm the growth mechanism. The possible cause of formation was based on dispersion function of ultrasonic irradiation and figuration of MPTS.     

Cu掺杂对TiNi合金马氏体相变路径影响的第一性原理研究

不同浓度的Cu元素掺杂会极大地影响TiNi二元合金的物理性质和相变行为.为了解释其中的物理机制,本文通过第一性原理计算,对TiNi和Ti_(50)Ni_(25)Cu_(25)的相变机制和相稳定性进行了计算和讨论.通过计算Cu掺杂前后立方相到正交相、再到单斜相过程中的相变路径和相变势垒,解释了Cu掺杂对二元合金TiNi相变过程的影响.计算结果表明:TiNi合金的正交相和单斜相之间存在一个大小为1.6meV的相变势垒;而对于Ti_(50)Ni_(25)Cu_(25),这两个相之间的相变势垒大小至少为10.3meV,如此大的一个相变势垒意味着Ti_(50)Ni_(25)Cu_(25)合金的正交相很难跨过势垒相变到单斜相.     

基于OPO脉冲激发的血糖光声检测影响因素研究

构建了一套基于侧向模式的光学参数振荡(optical parameter oscillator,OPO)脉冲激光激发-超声传感的血糖光声检测系统,并且将激发波长、激光能量、探测频率和温度等对血糖光声检测的影响,在系统结构上进行了有效融合。然后,以不同浓度的葡萄糖溶液作为测试样品,实验研究了几个因素(激发波长、激光能量、探测频率和温度等)对葡萄糖光声检测和浓度预测的影响。实验得到了不同浓度葡萄糖溶液在不同影响因素条件下的葡萄糖实时光声信号和光声峰峰值,同时,为了得到不同因素对葡萄糖光声值和浓度预测的影响规律,通过线性回归算法建立了葡萄糖光声峰峰值与各因素变化,以及不同因素下光声峰峰值与浓度梯度的映射关系模型。实验和模型预测结果表明：相比1 200和1 300 nm波长而言,1 064 nm波长下的葡萄糖光声峰峰值与浓度梯度模型预测效果最好,模型相关系数达到0.986;葡萄糖光声峰峰值随着脉冲激光输出能量的增大呈线性增大趋势,且葡萄糖浓度预测准确度随着激光输出能量增大有所提高;根据不同探测频率的超声探测器捕获的葡萄糖光声峰峰值与浓度梯度建模效果来看,响应频率为1 MHz的超声探测器相比2.5和10 MHz的超声探测器,在葡萄糖光声信号探测上具有更好的探测效果;最后,实验发现,葡萄糖光声峰峰值随着温度和浓度的增大均呈线性增大趋势,且浓度预测误差随着温度的升高逐渐增大。     

Modeling and experimental validation of hydrodynamics in an ultrasonic batch reactor

Simulation of hydrodynamics in ultrasonic batch reactor containing immobilized enzymes as catalyst is done. A transducer with variable power and constant frequency (24 kHz) is taken as source of ultrasound (US). Simulation comprises two steps. In first step, acoustic pressure field is simulated and in second step effect of this field on particle trajectories is simulated. Simulation results are compared with experimentally determined particle trajectories using PIV Lab (particle image velocimetry). Effect of varying ultrasonic power, positioning and number of ultrasonic sources on particle trajectories is studied. It is observed that catalyst particles tend to orientate according to pattern of acoustic pressure field. An increase in ultrasonic power increases particle velocity and also brings more particles into motion. Simulation results are found to be in agreement with experimentally determined data.     

Conformation and aggregation of poly-L-proline in solution

Although a large number of physical techniques have been successfully used to investigate many of the properties of poly-L-proline, the work reported here has used a combination of osmometry, light scattering, viscometry, and sedimentation studies to reveal a new aspect of this model biopolymer. Experiments were made both on solutions (propionic acid) of poly-L-proline Form I and Form II and on solutions (propionic acid with a threefold dilution of n-propanol) in which Form II was in the process of converting to Form I. The results indicate that an increase in the measured molecular weight accompanies known optical activity and intrinsic viscosity changes which occur as Form II becomes Form I. It appears that the molecular weight determined at infinite dilution for poly-L-proline I is approximately twice that found for poly-L-proline II, and evidence for concentration-promoted aggregation beyond the level of a dimer has been noted in these Form I solutions. Based on these facts and on the information obtained about the particle shapes, it is proposed that this association occurs by a side-to-side binding of two macro-molecules. Discussion is directed toward how these experimental findings can be incorporated into the established concept of the Form I conformation. Light, scattering experiments were also performed on solutions (propionic acid 3 M in LiBr) in which the high-salt, or collapsed, form of poly-L-proline had been generated from either Form II or Form I material. These results showed that the dissolved particles are composed of single chains and are significantly smaller in size than found in solutions of either form and it appears possible that in the collapsed form poly-L-proline might be represented by rodlike macromolecules possessing trans-peptide bonds and a conformation with a relatively small helical pitch.     

飞秒激光在光敏玻璃内制作微孔

用20倍显微物镜将波长为775 nm的飞秒激光聚焦在光敏玻璃（FOTURAN）内部,通过纵向写制模式由表面以下500 μm曝光至表面,并结合热处理和在浓度8%的氢氟酸超声溶液中腐蚀50 min,在FOTURAN内部制作了直径为几十μm的微孔.利用光学和扫描电子显微镜分析发现微孔具有圆形横截面和清晰边缘,目前得到的深宽比大约为7.通过在宽范围内改变入射激光能流（2.3~36.2 J/cm2）和写制速度（100~1 000 μm/s）,研究了这两项飞秒激光入射参量对制作微孔的影响.发现写制速度对制作微孔直径影响较小,而利用相对低的入射激光能流曝光可得到较大深宽比的微孔,并且在此情形下制作微孔的横截面更圆,璧面光滑度更高,并分析了原因.     

Optimization of sonochemical method of functionalizing Amino-Silane on superparamagnetic iron oxide nanoparticles using Central Composite Design

Optimization of sonochemical method of functionalizing a Silane coupling agent, Amino-Silane on Superparamagnetic Iron Oxide Nanoparticles (SPION) using Central Composite Design is reported. The Amino-Silane is grafted on the SPION in an iced bath environment using a Vibra-Cell 20 kHz ultrasonic irradiator with 13 mm diameter horn. Throughout the experiment amplitude of the ultrasonic device is maintained at 47%. The percentage atomic compositions of various APTES elements which bind to the SPION due to the ultrasonic irradiation were determined using X-ray photoelectron spectrometer (XPS). The influence of ultrasonic irradiation time and amount of APTES required for facile, rapid and effective functionalization of Organo-metallic compound on SPION are optimized. The optimized sonication time and amount of APTES are 8.49 min and 3.40 ml, respectively. The predicted results were validated with experimental data. Using the optimized values APTES were functionalized on the SPION experimentally and the results were compared. The experimental results validate the predicted data. Results show that very minimum sonication time is required for effective grafting of APTES on SPION.     

Fe2-xYxMo3O12系列材料的相变及负膨胀性研究

本文对Fe2-xYx(MoO4)3(x=0.0,0.2,0.4,0.5,0.6,0.8,1.0,1.2,1.4,1.6,1.8,2.0)系列材料的相变及负膨胀性能进行了研究.通过对Fe2-xYx( MoO4)3系列材料的XRD和拉曼谱的分析发现,当x≤0.4时Fe2-xYxMo3O12在常温下是单斜结构;当x≥0.5时...