基于扩散速度方法粘性流场的离散涡数值模拟

基于扩散速度方法粘性流场的离散涡数值模拟吴文权，李春，卜千里（上海机械学院上海２０００９３）关键词：扩散速度模型，粘性流场，离散涡方法。ＮＵＭＥＲＩＣＡＬＳＩＭＵＬＡＴＩＯＮＯＦＶＩＳＣＯＵＳＦＬＯＷＦＩＥＬＤＳＵＳＩＮＧＤＩＦＦＵＳＩＯＮＶＥＬＯＣ...     

类科尔介质中受激辐射场的量子统计性质

本文讨论类科尔介质腔中场模与三能级原子相互作用时辐射场的量子统计性质。结果表明,介质与场模的相互作用使场模与原子的相互作用减弱,光子一般不表现反聚束性质,辐射场服从超亚泊松统计分布。     

结合动力学和热力学研究PtPd修饰Zn0.5Cd0.5S纳米棒体系的高效光催化产氢机理

硫化镉锌(Zn0.5Cd0.5S)纳米棒因其制备方法简单以及具有良好的光催化活性等优点,在光催化领域得到广泛的研究和应用.单一Zn0.5Cd0.5S存在光生电子与空穴易复合以及光腐蚀等问题,采用助催化剂修饰将有助于电荷分离与迁移,从而提高其光催化性能.本文将PtPd合金作为助催化剂修饰Zn0.5Cd0.5S纳米棒光催化材料,以提高可见光照射下的产氢速率,并对合金助催化剂提高催化活性的机理进行了深入研究.通过简单水热法合成Zn0.5Cd0.5S,采用化学还原沉积法制备PtPd/Zn0.5Cd0.5S复合光催化材料.XRD结果表明,成功合成了Zn0.5Cd0.5S催化剂.TEM结果表明,Zn0.5Cd0.5S呈纳米棒状,测量得到PtPd合金的(111)晶面条纹间距为0.23 nm,说明合金成功负载到硫化镉锌上.XPS结果表明,PtPd/Zn0.5Cd0.5S复合样品中Pt和Pd元素的峰值较Pt/Zn0.5Cd0.5S和Pd/Zn0.5Cd0.5S均发生了偏移,Pt和Pd元素化学结合环境发生改变,进一步证实合成了PtPd合金.光催化产氢实验结果表明,当Zn0.5Cd0.5S负载PtPd合金以后,光催化产氢速率大幅提升,其中负载量为1.0 wt％的PtPd/Zn0.5Cd0.5S复合光催化材料的产氢速率最快,达到9.689 mmol·g-1·h-1,分别是纯Zn0.5Cd0.5S,Pt/Zn0.5Cd0.5S和Pd/Zn0.5Cd0.5S的9.5,3.6和1.7倍.为了探究PtPd合金性能优于Pt的原因,本文结合化学反应热力学(DFT理论计算)和动力学(光致发光光谱、光电流响应、电化学阻抗谱和表面光电压谱)手段进行了详细研究.结果 表明,PtPd二元贵金属合金具有与Pt相近的氢活性物种吸附能和d带中心,可以大大加速电荷转移,促进电荷分离,降低H2生成的活化能.虽然Pt在热力学上有利于光催化产氢,但从催化反应动力学结果可知,PtPd合金在动力学上更有利于产氢,这与光催化产氢结果一致,即PtPd/Zn0.5Cd0.5S复合材料催化活性高于Pt/Zn0.5Cd0.5S.综上,本文研究结果可为其他金属合金助催化剂的研究提供新思路.     

Ultrasonication extraction coupled with magnetic solid-phase clean-up for the determination of polycyclic aromatic hydrocarbons in soils by high-performance liquid chromatography

C18-functionalized magnetic microspheres synthesized in a three-stage system and characterized by Fourier transform infrared (FTIR) spectroscopy and SEM were applied for clean-up and enrichment of polycyclic aromatic hydrocarbons (PAHs) in soil samples combined with ultrasonication extraction. Magnetic solid-phase extraction (MSPE) parameters, such as elution solvents, amounts of sorbents, enrichment time and organic modifier, were optimized together with ultrasonication time and extraction solvents. Under the optimal conditions, the developed method provided spiked recoveries of 63.2-92.8% with RSDs of less than 6.4% and limits of detection were 0.5-1.0 ng/g. This new method provides several advantages, such as high extraction efficiency, convenient extraction procedure and short analysis times. Finally, the method was successfully applied to the determination of polycyclic aromatic hydrocarbons in soil samples.     

Oligonucleotide-based label-free Hg2+ assay with a monomer-excimer fluorescence switch

A novel fluorescent Hg(2+) sensor was developed based on the T-Hg(2+)-T structure and a thioflavine T monomer-excimer fluorescent switch. Under optimum conditions, the selectivity is remarkably high, and Hg(2+) can be quantified over the dynamic range of 0.1 to 1.2 μM, with a limit of detection (LOD) of ~20 nM and a linear correlation coefficient of 0.995.     

Assembly of triorganotin chloride with selenite ligands to macrocyclic,zigzag, helical,and linear structures: syntheses,characterizations, and crystal structures of [R3Sn(O2SeC6H4-4-Et)] n and [R3Sn(O2SeC6H4-2-Et)] n (R = Me,C6H5) complexes

Four new triorganotin(IV) complexes, [R₃Sn(O₂SeC₆H₄-4-Et)]₄ (R = Me 1), [R₃Sn(O₂SeC₆H₄-4-Et)] _n (R = Ph 2), [R₃Sn(O₂SeC₆H₄-2-Et)] _n (R = Me 3; Ph 4) have been synthesized by the treatment of 4-ethylbenzeneseleninic acid, 2-ethylbenzeneseleninic acid, and the corresponding triorganotin(IV) chloride with sodium ethoxide in methanol. All of the complexes were characterized by elemental analysis, FT-IR, NMR (¹H, ¹³C, and ¹¹⁹Sn) spectroscopy, TGA, and X-ray crystallography. Crystal structures show that all of the complexes are generated by the bidentate oxygen atoms and the five-coordinated tin centers with trigonal bipyramid geometry. The structural analyses reveal that complex 1 has a centrosymmetric tetranuclear triorganotin selenite with 16-membered macrocycle, which is formed by trimethyltin and ligand alternate linking. A series of C–H···O and π–π stacking interactions in complex 1 play an important function in the supramolecular aggregation. Complex 3 has two 1D spring-like chiral helical chains and crystallizes in the monoclinic space group P2₁, which is chiral. Complex 2 and 4 are both 1D infinite neutral chain polymers and complex 2 forms a 2D supramolecular framework through intermolecular C–H···O interactions.     

Resonances in rotationally inelastic scattering of OH(X2Π) with helium and neon

We present detailed calculations on resonances in rotationally and spin-orbit inelastic scattering of OH (X(2)Π, j = 3/2, F(1), f) radicals with He and Ne atoms. We calculate new ab initio potential energy surfaces for OH-He, and the cross sections derived from these surfaces compare well with the recent crossed beam scattering experiment of Kirste et al. [Phys. Rev. A 82, 042717 (2010)]. We identify both shape and Feshbach resonances in the integral and differential state-to-state scattering cross sections, and we discuss the prospects for experimentally observing scattering resonances using Stark decelerated beams of OH radicals.     

Synthesis and anti-inflammatory activities investigation of sinomenine derivatives on ring C

Eighteen sinomenine derivatives on ring C were prepared, and their anti-inflammatory activities were also investigated. Most of these derivatives showed mild to moderate activities. Compounds 4a, 4c and 5b showed better anti-inflammatory activity. So further modification of the ring C in sinomenine should be worthwhile.     

强奇异Calderón-Zygmund算子的交换子的双权BMO估计

研究了由强奇异Calderón-Zygmund算子T和加权BMO（ω）函数b生成的交换子Tb的sharp极大函数的点态估计,证明了这类交换子是由L^[p]（μ）到LP（μ）到LP（υ）上的有界算子,其中ω=（μυ^[-1]）^[1/P]且μυ∈Ap,1〈P〈∞．