圆筒内开缝圆筒自然对流的数值模拟

建立三维圆内开缝圆的数学模型,分别采用二维和三维SIMPLE算法QUICK格式,对王国祥实验参数下的圆内开缝圆自然对流换热问题进行数值模拟,当Ra数较小时,系统为稳态的,二维和三维数值结果均与实验结果吻合得非常好,当Ra数较大时,系统随时间振荡,整体呈现明显的三维特性,二维数值结果与实验结果的差异趋于增大,而三维数值结果与实验结果仍吻合得非常好。     

Depth-dependent fct to fcc strain relaxation in CoxNi1−x/Cu3Au(1 0 0) alloy films

Co_xNi_1−x/Cu₃Au(1 0 0) with x ? 11% was prepared at room temperature to study the strain relaxation and their correlation with the spin-reorientation transition. The vertical interlayer distance relaxed from 1.66 Å (fct) to 1.76 Å (fcc) while the thickness increased from 8 ML to 18 ML. Such rapid strain relaxation with thickness was attributed to the larger lattice mismatch between Co_xNi_1−x and Cu₃Au(1 0 0) (η ∼ −6.5%). The smooth change for crystalline structure was observed during strain relaxation process in which the crystalline structure seems irrespective of the alloy composition. To explain the strain relaxation, a phenomenological model was proposed. We provide a physical picture that the deeper layers may not relax while the surface layer start to relax. This assumption is based on the several experimental studies. Using the strain averaged from all layers of thin film as the volume strain of magneto-elastic anisotropy energy, the interrelation between strain relaxation and spin reorientation transition can be well described in a Néel type magneto-elastic model.     

Bromination of Binor-S

Bromination of binor-S resulted in a mixture of products containing several pairs of isomers. Three major processes were found to be involved in the reaction mechanism, i.e., bromination, hydrobromination, and dehydrobromination. The structures of nine compounds derived from dibromide 6 were identified by spectroscopic methods. Yields between isomers were rationalized by comparison of their relative strain energies calculated by force field model (MM2). The crystal structures of a tribromide (9) and a pentabromide (15) were solved by X-ray diffraction analyses. Their crystal packing patterns indicated the existence of attractive interactions among the bromine atoms.     

三维多枝雪花状银粉的制备及催化性能

室温下,以聚乙烯醇为保护剂,采用抗坏血酸还原硝酸银,于水相中一步合成出三维多枝雪花状银粉。结合X射线粉末衍射（XRD）、扫描电子显微镜（SEM）等结构表征手段,对三维多枝雪花状银粉的微观结构进行详细分析,在此基础上提出其可能的形成机理。此外,三维多枝雪花状银粉在4-硝基苯酚催化加氢反应中还表现出优异的催化活性。     

花球状银催化材料的制备及其对4-硝基苯酚的催化加氢性能

通过室温下将硝酸银水溶液与含有硫酸亚铁和柠檬酸的水溶液直接混合,一步合成由银纳米片自组装而成的银花状球结构。结合X射线粉末衍射（XRD）、扫描电子显微镜（SEM）等结构表征手段,考察硝酸银水溶液的滴加速度、柠檬酸添加量等因素对产物形貌及尺寸的影响,并对银花状球的形成机理进行研究。实验结果表明,通过对硝酸银水溶液滴加速度的简单调控可以实现银颗粒形貌由薄片状到花球状的转变。此外,该形貌的微纳米材料在4-硝基苯酚加氢反应中呈现出优异的催化活性。     

对氯硝基苯在含镧的镍钼硼奈米触媒上的氢化反应

钼和镧是好的镍硼触媒的促进剂, 对于对氯硝基苯氢化反应有好的效果, 因此同时加入钼和镧在镍硼触媒上应该是有趣的研究题目. 本研究利用化学还原法制备了一系列含有不同量镧的镧钼镍触媒, 醋酸镍、钼酸胺及硝酸镧同时加入含有甲醇的水溶液中. 以X光绕射, 穿透式电子显微镜、高分辨率电子显微镜及X光光电能谱仪鉴定了这些触媒. 对氯硝基苯氢化反应是在批次反应器中于333 K、1.2 MPa氢气压力及500 r/min转速下操作. 即使在镍钼硼中加入很少量的镧, 对提高活性及对氯苯胺的选择性都有显著的效果, 加入适量的镧可以抑制镍钼硼的长范围的结晶排列, 并保持镍钼硼在非结晶状态. 镧以氧化态存在, 其功效为阻隔物, 避免镍钼硼聚集, 但是过量的镧会有相反的效果, 镧和镍的适当比例是0.2.     

Ar16+和Ar17+离子与Zr作用产生的X射线谱

将超导离子源提供的10-20keV/q Ar16 和Ar17 离子入射到Zr金属表面,在相互作用中产生的X射线谱表明,高电荷态Ar16 离子在金属表面中性化过程中有可能存在多电子激发,使Ar16 的K壳层电子被激发形成空穴,在退激过程中发射特征Kα-X射线.空心原子Ar的K层发射X射线强度随入射离子的动能而减弱,靶原子Zr的L壳层发射X射线强度随入射离子动能的增加而增强.Ar17 的单离子的Kα-X射线产额比Ar16 单离子的Kα-X射线产额大5个数量级.     

中速C3+与Ne原子靶相互作用过程中单电子转移绝对截面的测量

实验测量了2.2‰-4.2v0(v0为玻尔速度,v0=2.19×108cm/s)的C3 与Ne原子碰撞过程中单电子转移绝对截面.将实验结果与多体经典轨道蒙特卡罗模拟计算结果进行了比较.用电离能的变化、屏蔽效应、动态关联对实验和理论计算结果间的数值差异做了分析.总体上,实验结果与多体经典轨道蒙特卡罗方法计算结果在趋势上相符很好.此外,还简单分析了多电子原子的转移多电离机制.     

中低速C3+与He，Ne，Ar原子相互作用过程中单电子转移绝对截面的测量

实验测量了1.7v₀—4.2v₀(v₀为玻尔速度,v₀=2.19×10⁸cm/s)的C³⁺与He,Ne,Ar原子碰撞过程中单电子转移绝对截面.将实验结果与多体经典轨道蒙特卡罗模拟计算结果做了比较,发现测量结果与多体经典轨道蒙特卡罗模拟计算结果在趋势上相符.当入射离子速度在1.7v₀—2 关键词： 离子-原子碰撞 单电子转移 绝对截面     

Hydrogenation of p-chloronitrobenzene over NiPtB nanoalloy catalysts

NiPtB nanoalloy catalysts with various Ni contents were prepared by chemical reduction method at room temperature using NaBH₄ as reducing agent. Pt and Ni cations were completely reduced to metals, and small amount of boron was also reduced and form alloy with metals. NiPtB formed nanosized alloy structure and X-ray diffraction patterns showed its amorphous nature. The particle size distribution and the surface composition were affected by Ni/Pt ratio in the starting materials and the temperature of heat treatment. The catalytic activity of the nanoalloys was tested for hydrogenation of p-chloronitrobenzene (p-CNB). The activity and selectivity to p-chloroaniline (p-CAN) were affected by the content of Ni in the catalyst. For NiPt_0.01B catalyst, the occurrence of surface segregation of B was driven by the strain energy at high reaction temperature. For NiPt_0.03B and NiPt_0.01B catalysts, Pt segregated to the surface by H₂ affinity. Ni/Pt ratio decreased as the reaction temperature increased. The activity was essentially affected by the addition of Ni on Pt in the NiPtB catalyst, as expected, because Pt is more active than Ni for this reaction. The hydrogenation of p-CNB was very selective and yielded p-CAN exclusively on NiPtB catalysts than that on Pt catalyst.