基于FLUENT软件的管式搅拌反应器流场的数值模拟

运用商业计算流体力学(CFD)软件FLUENT对一种新型管式搅拌反应器进行流场模拟,用GAMBIT建立流场实体模型,采用标准k-ε湍流模型以及多重参考系法(MRF)处理搅拌桨区.结果表明,计算所选模型能较准确地预测搅拌反应器的速度场、压力场及湍流动能分布,考察流量为1 m3/h时不同搅拌转速对反应器内部混合的影响,此时对应的最佳搅拌转速为50 rpm左右.模拟结果将为实验研究提供适当的操作参数,对搅拌反应器的优化和放大具有一定参考价值.     

高柔韧性尼龙1010材料的制备

对尼龙1010/NBR/增塑剂体系进行了系统研究,发现在挤出机中环氧扩链剂可以对尼龙进行扩链反应,且环氧树脂对尼龙1010的扩链反应活性较高,扩链效果比较明显;N-丁基苯磺酰胺是尼龙的良好增塑剂,经增塑、增韧后可以使经扩链后的尼龙1010柔韧性有明显提高.采用SEM和TEM对所制备的材料进行了形貌分析,发现用NBR增韧尼龙,对于不同的基体材料,橡胶粒子的形貌有很大不同,粒子由增韧纯尼龙的椭球形变为在增塑尼龙基体中不规则的形状.     

Structural study of cubic pyrochlores based on quantum mechanical simulation

In the ideal A₂B₂O₆O′ pyrochlore structure, the x-value of O atom position is a variable parameter. In Bi_1.5ZnNb_1.5−xTa_xO₇ (BZNT) cubic pyrochlores, the x-values alter with the different compositions of Nb/Ta. In this work, a series of initial models for BZNT were established by analyzing X-ray diffraction data. Then three structure modifying methods, including Rietveld refinement, Rietveld refinement with energy and geometry optimization based on quantum mechanics, were employed to obtain the precise models using Materials Studio. Moreover, the reflectivities of BZNT were computed by quantum mechanical simulation based on the refined models. Comparing the simulation results from different modifying models with the experimental results, it is found that Rietveld refinement with energy optimization is the most accurate method for BZNT pyrochlores. According to the simulation results, the different reflectivities correspond well with various x-values of O atom positions in BZNT pyrochlores.     

校长要努力营造校内和谐的人际关系氛围

校长是国家教育方针的执行者,是学校行政工作的主帅,是学校活动的组织者、指挥者、协调者.如何正确处理校内人际关系,营造一个校内宽松、和谐、民主的人际环境,是校长工作中的重要环节,是能否调动校内一切积极因素、凝心聚力,形成正向合力必不可少的条件.     

Phase transition of LCP fluids confined in nanochannels through MD simulation

Manipulation of molecular orientation alignment in MCTLCPs (main-chain thermotropic liquid crystalline polymers) by pure shear at nano scale has been investigated for the first time using molecular dynamics (MD) simulation. Results indicate that high planar shear induces long-range uniform orientation ordering (liquid crystalline phase) of initially randomly orientated molecules of MCTLCP fluid confined in a nanochannel, which is confirmed by analyzing the orientation order parameter and the snapshots of MCTLCP liquid in a nanochannel under different shear rates. Insights into the origin of the phase transition phenomena are given at molecular level through investigating the thermodynamic density distribution of MCTLCP molecules in the nanochannel, suggesting that the energy shift due to a radical jump of system density affects both the magnitude and the orientation of the molecular ordering. Simulation results also show that there is a critical shear rate for transforming isotropic phase into liquid crystalline phase. The critical shear rate is dependent on the temperature of the MCTLCP system. Findings in this paper may present useful information for processing TLCP molecules at nano scale and the understanding of nanoflow.     

Ionothermal synthesis of a three-dimensional zinc phosphate with DFT topology using unstable deep-eutectic solvent as template-delivery agent

A three-dimensional zinc phosphate compound with DFT topology, designated as ZnPO₄-EU1, has been synthesized by an ionothermal approach from the system HF-ZnO–P₂O₅-choline chloride-imidazolidone. Ethylenediamine, derived from decomposition of the imidazolidone component of the deep-eutectic solvent (DES) itself, is delivered to the synthesis and serves as an appropriate template for ZnPO₄-EU1. Experiments in which the synthesis conditions were varied showed that ZnPO₄-EU1 may be prepared over a wide molar ratio of P/Zn = 0.55–13.0. Powder X-ray diffraction patterns have been obtained at intervals to track the crystallization process of this material. The experimental data show that Zn₃(PO₄)₂ · 4H₂O (a dense phase) was first isolated from the DES after reaction for 1 h. Subsequently, the pure phase of ZnPO₄-EU1 was obtained with increasing crystallization time from 12 h to 72 h. The experimental results show that the nucleation and crystallization take place with relatively low levels of solvent degradation, demonstrating that zinc phosphate with a three-dimensional framework can be synthesized by in situ generation of an appropriate template using an unstable DES at high temperatures (150–200 °C).     

Polyetherimide substrates for future high density optical data storage

Polyetherimide (PEI) substrate for next‐generation high density optical data storage is fabricated and characterized. Cover‐layer incident or first‐surface recording configurations do not require optical properties of the substrate, which are the prerequisite conditions for the conventional material of polycarbonate (PC). Instead of the optical properties, good mechanical properties with a sufficient transcribability are required. Even though PEI has higher glass transition temperature than that of PC, a microscopic transcribability of PEI is comparable with PC by laminating a thermal insulation layer on the backside of a stamper to retard the heat flow. A macroscopic warpage of PEI substrate is smaller than that of PC substrates, which reduces tilt and servo burden. The lowest critical speed coupled with the flutter of PEI substrate is larger than that of PC substrate because of the mechanical properties of PEI. POLYM. ENG. SCI., 48:97–101, 2008. © 2007 Society of Plastics Engineers     

The effect of nitrogen oxides in air on the performance of proton exchange membrane fuel cell

The effects of NO_x on the performance of proton exchange membrane (PEM) fuel cell were investigated through the introduction of a mixture containing NO and NO₂, in a ratio of 9:1, into the cathode stream of a single PEM fuel cell. The NO_x concentrations used in the experiments were 1480 ppm, 140 ppm and 10 ppm, which cover a range of three orders. The experimental results obtained from the tests of durability, polarization, reversibility and electrochemical impedance spectroscopy (EIS) showed a detrimental effect of NO_x on the cell performance. The electrochemical measurements results suggested that the impacts of NO_x are mainly resulted from the superposition of the oxygen reduction reaction (ORR), NO and HNO₂ oxidation reactions, and the increased cathodic impedance. Complete recovery of the cell performance was reached after operating the cell with clean air and then purging with N₂ for hours.