Sonoelectrochemical hydrogenation of safrole: A reactor design,statistical analysis and computational fluid dynamic approach

In this work, ultrasound-assisted electrocatalytic hydrogenation (US-ECHSA) of safrole was carried out in water medium, using sacrificial anode of nickel. The ultrasonic irradiation was carried out at frequency of 20 kHz ± 500 Hz with a titanium cylindrical horn (MS 73 microtip; Ti-6AI-4V alloy; 3.0 mm diameter). The optimal conditions were analyzed by statistical experimental design (fractional factorial). The influence of the sonoelectrochemical reactor design was also investigated by using computational fluid dynamics as simulation tool. Among the five parameters studied: catalyst type, use of β-cyclodextrin as inverse phase transfer catalyst, sonoelectrochemical reactor design, ultrasound mode and the temperature of the solution, only the last three were significant. The hydrogenation product, dihydrosafrole, reached 94% yield, depending on the experimental conditions applied. Data of computational fluid dynamics showed that a wing shape tube added to the sonoelectrochemical reactor can work as a cooling apparatus, during the electrochemical process. The reactional solution temperature diminishes 14 °C when compared to the four-way-type reactor. Cooper cathode, absence of β-cyclodextrin, four-way-type reactor, ultrasound continuous mode (14 W) and absence of temperature control were the most effective reaction parameters for the safrole hydrogenation using US-ECHSA method. The proposed approach represents an important contribution for understanding the hydrodynamic behavior of sonoelectrochemical reactors designs and, consequently, for the reducing of the experimental costs inherent to the sonoelectrochemical process.     

Mechanistic model for the dielectric spectrum of a simple dielectric material

ABSTRACT

In this paper, we perform molecular dynamics simulations of a dielectric fluidic material composed of permanent molecular dipoles. The dielectric spectrum features two peaks at lower frequencies than the system phonon frequency. The primary peak is observed at all temperatures studied and shifts toward lower frequencies as the temperature decreases. During this shift, the secondary peak emerges with a higher peak frequency than the primary peak. The secondary peak amplitude increases as the temperature decreases. Both peaks are dependent on the wavevector; in the small wavevector regime, the primary peak is shifted to higher frequencies as the wavevector squared and the secondary peak amplitude increases as the wavevector increases, but shows no shift in frequency. From the polarisation balance equation, we propose a model for the dielectric spectrum. This captures the spectrum features, and we conjecture that the primary peak is due to dipole moment correlations (Debye-type) and the secondary peak is due to the correlation between the dipole moment and a microscopic local field.     

A Concise Method to Predict the Mean Dynamic Pressure on a Plunge Pool Slab

Hydrodynamic pressure exerted on a plunge pool slab by jet impingement is of high interest in high dam projects. The present study experimentally investigated the characteristics of pressure induced by a jet through a constant width flip bucket (CFB) and a slit flip bucket (SFB). A pressurized plane pipe was employed in the flume experiments to control the inlet velocities in the flip buckets. A concise method is proposed to predict the mean dynamic pressure field. Its implementation is summarized as follows: First, the position of the pressure field is determined by the trajectories of free jets, and to calculate its trajectories, an equation based on parabolic trajectory theory is used; second, the maximum mean dynamic pressure is obtained through dimensional analysis, and then the pressure field is established by applying the law of Gaussian distribution. Those steps are integrated into a concise computing procedure by using some easy-to-obtain parameters. Some key parameters, such as takeoff velocity coefficient, takeoff angle coefficient, and the parameter k2, are also investigated in this paper. The formulas of these coefficients are obtained by fitting the experimental data. Using the proposed method, the easy-to-obtain geometric parameters and initial hydraulic conditions can be used to calculate the maximum mean dynamic pressure on the slab. A comparison between experimental data and calculated results confirmed the practicability of this model. These research results provide a reference for hydraulic applications.     

连续梁在周期荷载下的动力稳定性简化分析方法

对于一般任意支撑的连续梁结构动力稳定性问题,已有的计算方法求解过程都很复杂,给工程设计带来极大的不便．本文提出了一个简化的分析方法,利用现有的商业软件,只需求得连续梁的自然频率及静力屈曲（失稳）荷载,就可容易得到结构的动力失稳区域,当考虑结构阻尼对不稳定区域的影响时,可将阻尼矩阵表达为Rayleigh阻尼的形式．研究结果表明：采用本文计算方法与已有的理论计算方法得到的连续梁主参数共振的不稳定边界非常吻合,而本文计算方法更为简单,计算结果可靠,计算精度高,可满足工程设计的需要．     

动态压缩下Zr基非晶合金失效释能机理

为研究Zr 基非晶合金动态压缩条件下的失效释能机理,采用力学试验机、霍普金森杆、高速摄影、差示扫描量热分析(differential scanning calorimetry, DSC)、扫描电镜(scanning electron microscope, SEM)等,得到了材料应力应变曲线、高速摄影图像、失效式样微观形貌及DSC 曲线,根据实验数据计算了材料的晶化激活能,并拟合了材料的JH-2(Johnson-Holmquist Ⅱ)模型,对材料动态失效过程进行有限元数值模拟。实验结果表明,压缩条件下材料为脆性断裂,断口处观察到典型的脉状纹样及液滴状结构,材料失效过程伴随着释能现象;数值模拟结果表明,材料裂纹局部的瞬时内能大于材料晶化激活能。动态压缩下材料的失效释能机理即为材料破碎释放储存的弹性势能,并导致材料局部晶化释能,释能强度与应变率成正相关。     

共焦显微镜扫描工作台的系统建模与动态分析

共焦显微镜扫描工作台动态模型是研究控制系统的重要依据,它直接影响工作台的重复定位精度.提出了将机械部分和电气部分分开建模的方法,建立了系统数学模型,该方法具有较好的可移植性,建模过程简单,有利于分析系统各环节对系统控制性能的影响.在MATLAB/Simulink下进行仿真,2 s内系统达到了稳定状态,证明了系统具有很好的动态特性,满足控制的要求.     

Triple Self‐Sorting in Constitutional Dynamic Networks: Parallel Generation of Imine‐Based CuI,FeII, and ZnII Complexes

Three imine‐based metal complexes, having no overlap in terms of their compositions, have been simultaneously generated from the self‐sorting of a constitutional dynamic library (CDL) containing three amines, three aldehydes, and three metal salts. The hierarchical ordering of the stability of the three metal complexes assembled and the leveraging of the antagonistic and agonistic relationships existing between the constituents within the constitutional dynamic network corresponding to the CDL were pivotal in achieving the sorting. Examination of the process by NMR spectroscopy showed that the self‐sorting of the Fe^II and Zn^II complexes depended on an interplay between the thermodynamic driving forces and a kinetic trap involved in their assembly. These results also exemplify the concept of “simplexity”—the fact that the output of a self‐assembling system may be simplified by increasing its initial compositional complexity—as the two complexes could self‐sort only in the presence of the third pair of organic components, those of the Cu^I complex.     

用动态光弹性法研究炮身膛线的脱落问题

本文利用动态光弹性法研究了炮膛膛线脱落的机理。用包含五条膛线的部分炮筒横截面或扇形平面模型,在六种不同的载荷状态下进行了实验。得到了不同载荷状态下,不同瞬时的等差线条纹图的系列照片,以及膛线根部不同瞬时的应力分布曲线。结果表明:当一条或相邻数条膛线顶端受到足够大的均布冲击载荷时,将在承载膛线两侧根部的应力极值点出现膛线脱落的起裂点,而形成八字形脱落;而对非均布的其它几种冲击载荷,膛线都不会出现八字形脱落。     

薄壁件加工系统动态响应分析

薄壁件在铣削加工中容易产生共振或变形,直接影响加工稳定性及加工精度。采用主轴-刀具-工件整体铣削系统连续梁模型,系统研究在动态铣削力作用下,刀具端部与工件端部的动态响应之间的相互影响关系以及对整体系统动态响应影响较大的薄壁件尺寸。结果表明,工件横截面高度对系统共振的影响较为明显,当高度尺寸较小时,工件的低频共振会通过动态铣削力直接反映到刀具端部的振动频响上。工件横截面底边宽度尺寸的增大虽然对共振频率的改变不太明显,但会导致激发出来的刀具共振幅度出现明显降低。研究成果可以为薄壁件铣削加工系统的稳定性控制提供理论基础。