铝离子和钛离子化学改性MCM-41介孔材料的制备及其对污水中镉离子的吸附性能(英文)

通过在MCM-41材料中引入Al 3+和Ti 4+两种诱因金属离子合成了化学改性介孔材料Al-Ti-MCM-41和Ti-Al-MCM-41;评价了两种介孔材料对污水中镉离子的吸附行为.利用氮气吸附-脱附等温线对Al-Ti-MCM-41(1∶1)样品的吸附行为进行了详细分析,考察了吸附剂投加量、Cd2+初始质量浓度和吸附温度对其吸附行为的影响.结果表明:改性Al-Ti-MCM-41(1∶1)介孔材料的最可几孔径和比孔容分别为16nm和0.04cm3/g,由BJH法计算得到的平均孔径为17.02nm;其对污水中Cd2+的吸附率达99.8%.Cd2+的吸附率随Al-Ti-MCM-41(1∶1)介孔材料投加量的增加先增加而后降低最终达到平衡,吸附容量随Cd2+初始浓度的增大而增加;吸附温度对吸附行为基本无影响.     

A Dodecahedrane-like Molecule C_（12）H_（12）B_8 with Uncommon T_h Symmetry

The molecule with Th symmetry is rare.A dodecahedrane-like molecule C12H12B8 with uncommon Th symmetry has been reported here.Density functional calculations and minimization techniques have been employed to characterize its structural and electronic properties.Its geometry,electronic properties,vibrational frequencies and heat of formation have been calculated at the B3LYP/6-311+G(d,p) level of theory.The absence of imaginary vibrational frequency confirms that it corresponds to true minimum on the potential energy hypersurface.Its vibrational bands in the IR intensity have been discussed and compared with future experimental identification.At the B3LYP/6-311+G(d,p) level,the heat of formation has been calculated to be 720.9 kJ mol-1 using the isodesmic reaction.According to this value,it is a potential high energy density molecule.     

推广的（2＋1）维浅水波方程的精确解及其混沌行为

利用Riccati方程映射法和变量分离法,得到了推广的（2＋1）维浅水波系统的变量分离解（包括孤波解、周期波解和有理函数解）.根据得到的孤波解,构造出了方程的单孤子和双孤子结构,研究了孤子的混沌行为.     

Intense up-conversion emissions of yb3＋/Dy3＋ co-doped A12O3 nanopowders prepared by non-aqueous sol-gel method＊

Yb 3+ /Dy 3+ co-doped Al2O3 nanopowders have been prepared by the non-aqueous sol-gel method and their up- conversion photoluminescence spectra are measured under excitation by a 980-nm semiconductor laser. The results show that there are comparatively abundant spectra of up-conversion emissions centered at 378, 408, 527 and 543, and 663 nm, corresponding to4G9/2 → 6H13/2,4G9/2→6H11/2 ,4I15/2 →6H13/2 , and 4F9/2 → 6H11/2 transitions of Dy 3+ , respectively. Two-photon and three-photon processes are involved in ultraviolet, violet, green, and red up-conversion emissions. The energy transition between Yb3+ and Dy3+ is discussed.     

Painleve Property,Beicklund Transformations and Rouge Wave Solutions of （3 ＋ 1）-Dimensional Burgers Equation

Burgers equation is the simplest one in soliton theory, which has been widely applied in almost all the physical branches. In this paper, we discuss the Painleve property of the （3＋1）-dimensional Burgers equation, and then Becklund transformation is derived according to the truncated expansion of the obtained Painleve analysis. Using the Backlund transformation, we find the rouge wave solutions to the equation via the multilinear variable separation approach. And we aiso give an exact solution obtained by general variable separation approach, which is proved to possess abundant structures.     

NaF晶体中电荷补偿掺杂Ce^3＋离子光谱性质的从头算

用从头算研究NaF晶体中Ce^3＋占据Na＋格位时的光谱性质,电荷补偿由占据格位第一配位壳层的两个氟原子被氧取代 （OF＇） 或第二配位壳层的两个Na空位（Na＇） 来提供. 首先采用基于DFT的超单胞模型方法优化了Ce^3＋的局域结构,并构造以Ce为中心的镶嵌团簇,对其进行基于波函数理论的CASSCF/CASPT2/RASSI-SO计算,获得Ce^3＋的4f1和5d1组态分裂能级能量. 通过将4f→5d跃迁能量计算值与低温实验激发光谱比较,发现实验观测到的最低4f→5d跃迁谱带（390 nm）来自于两个最近邻OF＇补偿的Ce^3＋离子,并不是文献中的两个次近邻VNa＇ 补偿的Ce^3＋. 最后从5d1组态能级重心位移和晶场分裂两方面分析了由两个最近邻OF＇取代造成最低4f→5d 跃迁红移约8000 cm-1的原因.     

Complementary studies on N＊ from e＋e-, pp and pp collisions

Complementary to the conventional experimental studies on N＊ from πN and γ（＊）N reactions, the e＋e-, pp and pp collisions can give novel insights into these N＊ resonances. While the e＋e- collisions through production and decay of vector charmonium ψ provide a nice isospin filter for a simultaneously study of N＊, △＊, ∧＊, ∑＊ and 2＊, the pp collisions should be the best place for producing those △＊＋＋ with large coupling to p＋p though pp →nA＊＋＋ reaction, and the pp collisions should be the best place for looking for those N＊ with large coupling to σN.     

共振瑞利散射光谱法测定人体血浆和尿液中的加替沙星

提出了共振瑞利散射光谱法测定加替沙星的新方法。在pH5.2—5.6的Britton-Robinson缓冲溶液中,加替沙星(Gatifloxacin,GTFX)与钴(Ⅱ)能形成阳离子配合物,它可进一步与酸性染料刚果红(CR)阴离子反应形成2:1:1(GTFX:Co~(2+):CR)的三元离子缔合物,使共振瑞利散射(RRS)急剧增强,其2个散射峰分别位于382nm和560nm处。在382nm处,加替沙星的浓度在0—5.26μg·mL~(-1)范围内,与RRS强度有良好的线性关系,检出限(3σ)为7.5ng·mL~(-1)。此方法简便、快速,且具有良好的选择性,用于片剂、尿液和血浆中加替沙星的测定,其回收率在96.1%—103.6%。     

Monte Carlo generator photon jets used for luminosity at e+e－ colliders

A Monte-Carlo Generator Photon Jets （MCGPJ） to simulate Bhabha scattering as well as production of two charged muons and two photons events is discussed. The theoretical precision of the cross sections with radiative corrections （RC） is estimated to be smaller than 0.2%. The Next Leading Order （NLO） radiative corrections proportional to α are treated exactly, whereas the all logarithmically enhanced contributions, related to photon jets emitted in the collinear region, are taken into account in frame of the Structure Function approach. Numerous tests of the MCGPJ as well as a detailed comparison with other MC generators are presented.     

Tunneling Conductance in dx2-y2 ＋idly Mixed Wave Superconductor Graphene Junctions

Using the extended Blonder-Tinkham-Klapwijk formalism, we investigate the conductance spectra of normal metal/dx2-y2 ＋ idxy mixed wave superconductor graphene junctions. It is found that the conductance spectra vary strongly with the orientation of the gap and the amplitude ratio （Δ1/Δ0） of two components for dx2-y2 ＋ idxy mixed wave. The zero bias conductance is nearly 2 and the conductance peak vanishes in doped graphene for a = 0 and Δ1/Δ0 = 1. The conductance increases with increasing the amplitude ratio of two components for α =π/4 and Δ1/Δ0 -- 1. The ZBCP becomes observable wide with 1 〈 EF/Δ0 〈 100 for α= π/4 and Δ1/Δ0 = 1. This property is different from that in normal metal/dx2-y2 wave superconductor graphene junctions.