吸气式高超声速飞行器气动力气动热的数值模拟方法及应用

对吸气式高超声速飞行器而言,物面热流和摩阻的准确预测对飞行器设计及安全十分关键.介绍采用CFD准确预测气动力和气动热的方法,包括流动的控制方程、湍流模型及湍流的先进壁面函数边界条件,介绍流动的数值求解方法.对典型超声速层流和湍流流动的摩擦阻力和热流进行详细的验证与确认,考察CFD工具在使用先进壁面函数边界条件后,湍流计算的法向网格无关性能力.对设计的一种吸气式高超声速飞行器的气动力和气动热进行数值模拟,为飞行器的气动设计及热防护提供了可靠的数据.     

单调性条件在Fourier级数收敛性中的最终推广:历史、发展、应用和猜想

为了对Fourier级数进行近似计算和有效应用,必须研究其收敛性,这个课题有长久的历史,形成了数学分析中吸引包括许多著名数学家在内的学者研究的一条热烈但困难的主流.其中,在三角级数(Fourier级数)一致收敛性和平均收敛性问题中人们一直关心Fourier系数的单调递减条件最终的推广.这个开始于英国Chaundy-Jollife(1916年)和Young(1913年)的工作最近出现了突破性的进展,产生了许多完善的结果.本文将对这方面的历史、发展给出综述,并重点介绍最近的应用成果,并对以后的工作给出研究思路和线索.     

Simulation of 12C+12C elastic scattering at high energy by using the Monte Carlo method

The Monte Carlo method is used to simulate the ¹²C+¹²C reaction process. Taking into account the size of the incident ¹²C beam spot and the thickness of the ¹²C target, the distributions of scattered ¹²C on the MWPC and the CsI detectors at a detective distance have been simulated. In order to separate elastic scattering from the inelastic scattering with 4.4 MeV excited energy, we set several variables: the kinetic energy of incident ¹²C, the thickness of the ¹²C target, the ratio of the excited state, the wire spacing of the MWPC, the energy resolution of the CsI detector and the time resolution of the plastic scintillator. From the simulation results, the preliminary establishment of the experiment system can be determined to be that the beam size of the incident ¹²C is φ 5 mm, the incident kinetic energy is 200-400 A MeV, the target thickness is 2 mm, the ratio of the excited state is 20%, the ight distance of scattered ¹²C is 3 m, the energy resolution of the CsI detectors is 1%, the time resolution of the plastic scintillator is 0.5%, and the size of the CsI detectors is 7 cm×7 cm, and we need at least 16 CsI detectors to cover a 0° to 5° angular distribution.     

Zn2+‐Regulated Self‐Sorting and Mixing of Phosphates and Carboxylates on the Surface of Functionalized Gold Nanoparticles

Herein, we describe the self‐sorting of phosphate‐ and carboxylate‐containing molecules on the surface of monolayer‐protected gold nanoparticles. Self‐sorting is driven by selective interactions between the phosphate probe and Zn²⁺ complexes in one monolayer; these interactions force the carboxylate probe to move to a second type of nanoparticle. This process effectively separates the probes and causes their localization in well‐defined spaces surrounding the nanoparticles. The removal/addition of Zn²⁺ metal ions from the system is used to convert the system from an ordered to a disordered state and vice versa. The possibility to control the location and transport of populations of molecules in a complex mixture creates new perspectives for the development of innovative complex catalytic systems that mimic nature.     

ZnCl_2溶液中微波辅助SnCl_4催化纤维素制备5-HMF

将纤维素溶解在ZnCl_2溶液中,以SnCl_4为催化剂,微波下使纤维素降解成5-羟甲基糠醛(5-HMF)。实验考察了微波功率、纤维素的质量、ZnCl_2溶液浓度、反应时间及催化剂与纤维素物质的量比等对5-HMF产率的影响。结果表明,以SnCl_4为催化剂,在优化条件:1.0 g纤维素溶解在100 m L 70%ZnCl_2溶液中,微波功率为420 W,降解反应9 min,SnCl_4与纤维素物质的量比2∶1下,5-HMF的产率达到39.4%。     

1,10-邻菲咯啉-铜(Ⅱ)-L-蛋氨酸配合物的合成、表征及其分子结构

The complex [Cu(L-met)(phen)(H₂O)]NO₃·H₂O has been synthesized and investigated by elemental analysis, molar conductivity, spectroscopic and X-ray diffraction methods, where phen=1,10-phenanthroline and L-met=L-methioninate group. The complex crystallized in the monoclinic space group P2₁ with a=12.053(2)?, b=6.886(1)?, c=13.385(3)?, β=113.59(3)°, V=1018.1(3)?³, Z=2,D_c=1.598g·cm^-3, μ=1.223mm^-1, F(000)=506, R₁=0.0306, and wR₂=0.0742. The copper(Ⅱ) atom is ligated in a distorted square-pyramidal geometry by two nitrogen atoms of one phen and the amino nitrogen atom , one carboxylate oxygen atom of L-met in the base plane, and an aqua at the apical position. A one-dimensional chain configuration formed by the hydrogen-bonding and weak Cu-O (the uncoordinated carboxyl oxygen atom) coordination interactions be-tween neighboring [Cu(L-met)(phen)(H₂O)]⁺ cations. CCDC: 183368.     

Photochemical Bromination of 2,5-Dimethylbenzoic Acid as Key Step of an Improved Alkyne-Functionalized Blue Box Synthesis**

Cyclobis(paraquat-p-phenylene), also known as “blue box”, is a highly electron-deficient macrocycle, widely used as a molecular receptor for small electron-rich molecules. Inserting a reactive functional group onto the molecular structure of this cyclophane is paramount for its inclusion into complex architectures. To this aim, including an alkyne moiety would be ideal, because it can participate in click reactions. However, the synthesis of such alkyne-functionalized cyclophane suffers from several drawbacks: the use of toxic and expensive CCl₄, the need for high-pressure reactors, and overall low yield. We have revised the existing synthesis of this cyclophane derivative bearing an alkyne moiety, to overcome all these limitations. In particular, photochemical radical bromination is adopted to obtain a sensitive intermediate. We demonstrated that the synthesized host molecule can be functionalized via click reactions and take part in radical-radical interactions. Our work makes a key functionalized paraquat macrocycle more accessible, facilitating the development of novel redox-responsive systems.     

结晶聚合物品相相容性的研究

通过ＤＳＣ、Ｘ－射线衍射、红外光谱及拉伸试验研究了ＨＤＰＥ与ＬＬＤＰＥ、ＨＤＰＥ与ＬＤＰＥ之间的晶相相容性．结果表明，链结构相近的ＨＤＰＥ和ＬＬＤＰＥ的晶相相容性好，能形成共晶；而链结构差异较大的ＨＤＰＥ和ＬＤＰＥ的晶相相容性较差，倾向于分别结晶，但有部分链段被对方的晶区夹持．不论是支化度大的ＬＤＰＥ链段插入以ＨＤＰＥ为主的晶区，还是支化度小的ＨＤＰＥ链段插入以ＬＤＰＥ为主的晶区，都可破坏晶区的规整性．共晶的形成使共混物的熔点、结晶度、晶粒体积等低于两组份的线性加和，而力学性能，尤其是断裂伸长率，则显著提高，呈协同效应．     

单重态氧化学VIII.类卟啉稀土配合物光敏化产生单重态氧的ESR研究

用电子自旋共振(ESR)方法研究类卟啉稀土配合物([CO2H-APPC)Gd]Cl2)光敏产生单重态氧的II型机制。利用2,2, 6, 6-四甲基哌啶(TEMP)对单重态氧的捕捉, 测定所生成的氮氧自由基的ESR信号, 经加NaN3和CD3OD的实验, 证实了([CO2H-APPC)Gd]Cl2)光敏作用可有效地产生单重态氧, 并观察到在实验所用的浓度范围内, 随着光敏剂浓度加大, 生成的单重态氧也增加, 同时比较了几种不同稀土离子配合物产生单重态氧的差别。结合氧的消耗和氮氧自由基的ESR线宽变化对氧浓度的依赖性, 证明了类卟啉稀土配合物光敏化生成单态氧的II型反应在光动力光疗中起关键作用。     

Synthesis, Characterization, Crystal Structure and Stability of a Ternary Cu（Ⅱ） complex with 1, 10-Phenanthroline and L-Valinate

It is important to research the mixed-ligand copper complexes containing bioligands, such as amino acids, nucleic acids and proteins, in exploring the functional mechanism of microelement copper in organism because the reaction of any micronutrient with two or more bioligands in the concentrated bioligands background gives mixed-ligand ternary complexes, which are more stable and related with storage of substance and transportationof metal ions in the life process.