关于一类平面n+2次系统极限环唯一性的一个注记

本文继续完善文[1]和[2]的工作,利用广义Lienard方程和张芷芬唯一性定 理证明了,当n≥3时一类n+2次生化反应系统极限环的唯一性.至此,该系统极 限环唯一性问题得到完整解决.     

一类流行病数学模型解的研究

该文讨论了一类非线性抛物型方程组解的性质，利用微分方程上、下解方法证明了初值适当小时，方程存在整体解；初值适当大时，解在有限时间上爆破，推广了文献[1]的结果．     

Adsorbate motions induced by vibrational mode coupling

Adsorbate motions are discussed with a primary attention focused on the coupling between a vibrational mode excited by ultrafast laser heated hot-electrons or by inelastic tunneling electrons with scanning tunneling microscope and the reaction coordinate (RC) mode. Recent experimental results have demonstrated an efficient reaction pathways involving an indirect excitation of a frustrated translational mode, rather than its direct excitation for adsorbate hopping on surfaces. Elementary processes are briefly described for hopping of CO molecules on a laser heated stepped Pt surface, where excitation of the frustrated rotation mode has been found to plays an indispensable. Calculation of the inelastic tunneling current (ITC) for excitation of the C-O stretch mode of a CO molecule is combined with a theory of anharmonic mode coupling to activate the frustrated translation mode above the barrier. The hopping rate as a function of the bias voltage agrees with the experimental result. An unified theory of single-, and two-electron processes for ITC-induced motions induced by an indirect excitation of the RC-mode via mode coupling is also applied to reproduce a crossover from hopping to desorption of a single NH₃ molecule on Cu(1 0 0) with an increase in the tunneling current.     

Transmutation of 129I, 237Np, 238Pu, 239Pu, and 241Am using neutrons produced in target-blanket system ‘Energy plus Transmutation’ by relativistic protons

Target-blanket facility ‘Energy + Transmutation’ was irradiated by proton beam extracted from the Nuclotron Accelerator in Laboratory of High Energies of Joint Institute for Nuclear Research in Dubna, Russia. Neutrons generated by the spallation reactions of 0.7, 1.0, 1.5 and 2 GeV protons and lead target interact with subcritical uranium blanket. In the neutron field outside the blanket, radioactive iodine, neptunium, plutonium and americium samples were irradiated and transmutation reaction yields (residual nuclei production yields) have been determined using γ-spectroscopy. Neutron field's energy distribution has also been studied using a set of threshold detectors. Results of transmutation studies of ¹²⁹I, ²³⁷Np, ²³⁸Pu, ²³⁹Pu and ²⁴¹Am are presented.      

气相爆轰波在分叉管中传播现象的数值研究

数值研究气相爆轰波在分叉管中的传播现象.用二阶附加半隐龙格-库塔法和5阶WENO格式求解二维欧拉方程,用基元反应描述爆轰化学反应过程,得到了密度、压力、温度、典型组元质量分数场及数值胞格结构和爆轰波平均速度.结果表明:气相爆轰波在分叉管中传播,分叉口左尖点的稀疏波导致诱导激波后压力、温度急剧下降,诱导激波和化学反应区分离,爆轰波衰减为爆燃波(即爆轰熄灭).分离后的诱导激波在垂直支管右壁面反射,并导致二次起爆.畸变的诱导激波在水平和垂直支管中均发生马赫反射.分叉口上游均匀胞格区和分叉口附近大胞格区的边界不是直线,其起点通常位于分叉口左尖点上游或恰在左尖点.水平支管中马赫反射三波点迹线始于右尖点下游.分叉口左尖点附近的流场中出现了复杂的旋涡结构、未反应区及激波与旋涡作用.旋涡加速了未反应区的化学反应速率.反射激波与旋涡作用并使旋涡破碎.反射激波与未反应区作用,加速其反应消耗,并形成一个内嵌的射流.数值计算得到的波系演变和胞格结构与实验定性一致.     

直接置换法制备包覆型纳米铜-银双金属粉末

 以AgNO₃为主盐,采用直接置换法初步制备了包覆型纳米铜-银双金属粉末,分析了工艺条件对包覆效果的影响,并用透射电子显微镜、X射线能量色散谱仪和X射线衍射仪进行了表征。实验结果表明：纳米铜-银双金属粉末为包覆型结构,平均粒径约70 nm,分散性较好,表面银的原子分数达到74.28%。在洗涤过程中加入一定量的保护剂,有效解决了纳米铜粉的氧化问题。     

Ni(111)表面一氧化碳和氢共吸附的密度泛函理论研究

本文用密度泛函理论(DFT)的总能计算研究了一氧化碳和氢原子在Ni(111)表面上p(2×2)共吸附系统的原子结构和电子态，结果表明CO和H原子分别被吸附于两个对角p(1×1)元胞的hcp和fcc位置.以氢分子和CO分子作为能量参考点，总吸附能为2.81 eV，相应的共吸附表面功函数φ为6.28 eV.计算得到的C—O，C—Ni和H—Ni的键长分别是1.19?, 1.96?和 1.71?，并且CO分子以C原子处于hcp的谷位与金属衬底原子结合.衬底Ni(111)的最外两层的晶面间距在吸附后的相对变化分别是 关键词： Fisher-Tropsch反应 催化作用 Ni(111) p(2×2)/(CO+H) 共吸附     

Sonochemical conversion of CO2 into hydrocarbons: The Sabatier reaction at ambient conditions

In this study, we investigated an alternative method for the chemical CO₂ reduction reaction in which power ultrasound (488 kHz ultrasonic plate transducer) was applied to CO₂-saturated (up to 3%) pure water, NaCl and synthetic seawater solutions. Under ultrasonic conditions, the converted CO₂ products were found to be mainly CH₄, C₂H₄ and C₂H₆ including large amount of CO which was subsequently converted into CH₄. We have found that introducing molecular H₂ plays a crucial role in the CO₂ conversion process and that increasing hydrogen concentration increased the yields of hydrocarbons. However, it was observed that at higher hydrogen concentrations, the overall conversion decreased since hydrogen, a diatomic gas, is known to decrease cavitational activity in liquids. It was also found that 1.0 M NaCl solutions saturated with 2% CO₂ + 98% H₂ led to maximum hydrocarbon yields (close to 5%) and increasing the salt concentrations further decreased the yield of hydrocarbons due to the combined physical and chemical effects of ultrasound. It was shown that CO₂ present in a synthetic industrial flue gas (86.74% N₂, 13% CO₂, 0.2% O₂ and 600 ppm of CO) could be converted into hydrocarbons through this method by diluting the flue gas with hydrogen. Moreover, it was observed that in addition to pure water, synthetic seawater can also be used as an ultrasonicating media for the sonochemical process where the presence of NaCl improves the yields of hydrocarbons by ca. 40%. We have also shown that by using low frequency high-power ultrasound in the absence of catalysts, it is possible to carry out the conversion process at ambient conditions i.e., at room temperature and pressure. We are postulating that each cavitation bubble formed during ultrasonication act as a “micro-reactor” where the so-called Sabatier reaction -$C{O}_2+4H_2\stackrel{\mathit{Ultrasonication}}{\to }C{H}_4+2H_{2}O$ - takes place upon collapse of the bubble. We are naming this novel approach as the “Islam-Pollet-Hihn process”.     

Greener organic synthetic methods: Sonochemistry and heterogeneous catalysis promoted multicomponent reactions

Ultrasound is an essential technique to improve organic synthesis from the point of view of green chemistry, as it can promote better yields and selectivities, in addition to shorter reaction times when compared to the conventional methods. Heterogeneous catalysis is another pillar of sustainable chemistry being the recycling and reuse of the catalysts one of its great advantage. In the other hand, multicomponent reactions provide the synthesis of structurally diverse compounds, in a one-pot fashion, without isolation and purification of intermediates. Thus, the combination of these protocols has proved to be a powerful tool to obtain biologically active organic compounds with lower costs, time and energy consumption. Herein, we provide a comprehensive overview of advances on methods of organic synthesis that have been reported over the past ten years with focus on ultrasound-assisted multicomponent reactions under heterogeneous catalysis. In particular, we present pharmacologically important N- and O-heterocyclic compounds, considering their synthetic methods using green solvents, and catalyst recycling.