Theoretical study on electron impact excitation of highly charged Ne-like ions

The electron impact excitation (EIE) cross sections from the ground state to all of the 2s(2)2p(5)3l and 2s2p(6)3l(l=s, p, d) states along the Ne-like isoelectronic sequence of ions (Z = 50-57) have been calculated by using the multiconfiguration Dirac-Fock package GRASP92 and the fully relativistic distorted-wave program REIE06. In the calculations, the relativistic effects and electron correlation effects are considered systematically. Based on those calculations, the EIE cross sections along the Ne-like isoelectronic sequence of ions for different incident electron energies are discussed, and some important conclusions are drawn. We also study the influence of the correlation effects on the values of the 3C/3D line-intensity ratio [3C: (2p(1/2)3d(3/2))(1) -> 2s(2)2p(6) S-1(0), 3D: (2p(3/2)3d(5/2))(1) -> 2s(2)2p(6) S-1(0)] along the Ne-like sequence. A comparison is made between the present results and previous theoretical calculations and experimental results for the EIE cross sections in Ba-46 (+) ions, and a good agreement is obtained.

高离化态类氖离子的电子碰撞激发特性研究

利用基于多组态Dirac-Fock(MCDF)理论方法的原子结构和性质计算程序GRASP92和全相对论扭曲波电子碰撞激发计算程序REIE06,系统计算了类氖离子(Z=50—57)激发组态2s22p53l和2s2p63l(l=s,p,d)的能级结构和碰撞激发截面,总结了碰撞激发截面随入射电子能量的变化规律,讨论了实验中感兴趣的(2p1/23d3/2)1→2s22p61S0(标记为3C线)与(2p3/23d5/2)1→2s22p61S0(标记为3D线)跃迁线强度比值的沿等电子系列特性和强组态相互作用对高离化态类氖离子截面的影响.

低β四分之一波长腔中的束流偏转的分析性研究(英文)；Analytical Study on Beam Steering in Low-β Superconducting Quarter Wave Resonators

目前加速速度范围在0.01c—0.3c的粒子的超导腔主要使用四分之一波长腔型。用于不同加速器上的频率范围在50—240MHz的四分之一波长腔在建造或者预研中。这种腔型的一个不足是其横向电磁成分会造成束流偏转效应,从而导致发射度的增长和束流的溢漏,在强流重离子加速器中这种效应尤为严重。对中国科学院近代物理研究所超导直线加速器中的频率为80.5和161MHz的四分之一波长腔的偏转效应进行了分析,计算结果表明,在四分之一腔体的设计时需要考虑到束流偏转的修正,这通常需要在漂移管端面上削适当大小的倾角来实现。

dd→αK+K-反应截面在ANKE/COSY上的测量

ANKE谱仪是位于冷却储存环COSY上的一个内靶实验终端，在它的针对物理目标中，研究靠近 产生阈的共振态a0(980)/f0(980)是一个主要的内容。在通过强相互作用反应对a0/f0进行测量时，初态会选择使用不同的同位旋组合，也就是使用pp、 pn、pd和dd反应。本实验完成于2006年的4、5月间，是一个使用COSY所能提供的最大束流动能Td = 2.273 GeV的dd道反应，它比 产生阈高Q = 39 MeV。在实验中探测了αK+符合事件，结合使用丢失质量分析方法就可以对反应链dd → αf0 → αK+K- 以及其中的f0(980)共振态进行研究。 作为本文的主要内容这个实验，是在Monte - Carlo模拟的帮助下准备后，在4个星期的束流时间里完成的。在实验完成后，数据分析主要集中在对稀有的αK+事件进行鉴别。 ANKE的射程望远镜阵列针对K+介子的鉴别做过优化，在它的帮助下K+就可以通过飞行时间、能量损失方法，以及探测延迟发射的K+衰变产物而被挑选出来。而与之关联的α粒子则是通过它们相对于K+介子的定时点进行鉴别的，α和K+的动量及轨迹由在相应多丝正比室上测量到的径迹信息重建。由此，就可以通过使用丢失质量方法鉴别出实验中没有测量的K-介子。最终所得的αK+丢失质量谱在K-介子质量区域内呈现一个峰，其中包含大约15个事件。由这些αK+K-事件可以得到总的反应截面σtot = (9 ± 3sta ± 5sys) pb。 同位旋破缺反应dd → α(π0η) 的截面由测量得到的σtot (dd → αK+K-)值推出，进而它也给出了在WASA-at-COSY上观察这个过程所要求的最短束流时间。因为这个反应被认为主要是源于通过KK中间态的f0 → a0转化，所以它对于确定出轻标量介子a0(980)/f0(980)的结构扮演着格外重要的角色

Characterization of complex hydrocarbons in cigarette smoke condensate by gas chromatography-mass spectrometry and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry

Gas chromatography-mass spectrometry with electron ionization and positive-ion chemical ionization and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC x GC-TOF-MS) were applied for the characterization of the chemical composition of complex hydrocarbons in the non-polar neutral fraction of cigarette smoke condensates. Automated data processing by TOF-MS software combined with structured chromatograms and manual review of library hits were used to assign the components from GC x GC-TOF-MS analysis. The distributions of aliphatic hydrocarbons and aromatics were also investigated. Over 100 isoprenoid hydrocarbons were detected, including carotene degradation products, phytadiene isomers and carbocyclic diterpenoids. A total of 1800 hydrocarbons were tentatively identified, including aliphatic hydrocarbons, aromatics, and isoprenoid hydrocarbons. The identified hydrocarbons by GC x GC-TOF-MS were far more than those by GC-MS. (C) 2004 Elsevier B.V. All rights reserved.

Low-temperature heat capacity and standard molar enthalpy of formation of 9-fluorenemethanol (C14H12O)

Low-temperature heat capacities of the 9-fluorenemethanol (C14H12O) have been precisely measured with a small sample automatic adiabatic calorimeter over the temperature range between T = 78 K and T = 390 K. The solid-liquid phase transition of the compound has been observed to be T-fus = (376.567 +/- 0.012) K from the heat-capacity measurements. The molar enthalpy and entropy of the melting of the substance were determined to be Delta(fus)H(m) = (26.273 +/- 0.013) kJ (.) mol(-1) and Delta(fus)S(m) = (69.770 +/- 0.035) J (.) K-1 (.) mol(-1). The experimental values of molar heat capacities in solid and liquid regions have been fitted to two polynomial equations by the least squares method. The constant-volume energy and standard molar enthalpy of combustion of the compound have been determined, Delta(c)U(C14H12O, s) = -(7125.56 +/- 4.62) kJ (.) mol(-1) and Delta(c)H(m)degrees(C14H12O, s) = -(7131.76 +/- 4.62) kJ (.) mol(-1), by means of a homemade precision oxygen-bomb combustion calorimeter at T = (298.15 +/- 0.001) K. The standard molar enthalpy of formation of the compound has been derived, Delta(f)H(m)degrees (C14H12O, s) = -(92.36 +/- 0.97) kJ (.) mol(-1), from the standard molar enthalpy of combustion of the compound in combination with other auxiliary thermodynamic quantities through a Hess thermochemical cycle. (C) 2004 Elsevier Ltd. All rights reserved.

Pt based anode catalysts for direct ethanol fuel cells

In the present work several Pt-based anode catalysts supported on carbon XC-72R were prepared with a novel method and characterized by means of XRD, TEM and XPS analysis. It was found that all these catalysts are consisted of uniform nanosized particles with sharp distribution and Pt lattice parameter decreases with the addition of Ru or Pd and increases with the addition of Sn or W. Cyclic voltammetry (CV) measurements and single direct ethanol fuel cell (DEFC) tests jointly showed that the presence of Sn, Ru and W enhances the activity of Pt towards ethanol electro-oxidation in the following order: Pt1Sn1/C > Pt1Ru1/C > Pt1W1/C > Pt1Pd1/C > Pt/C. Moreover, Pt1Ru1/C further modified by W and Mo showed improved ethanol electro-oxidation activity, but its DEFC performance was found to be inferior to that measured for Pt1Sn1/C. Under this respect, several PtSn/C catalysts with different Pt/Sn atomic ratio were also identically prepared and characterized and their direct ethanol fuel cell performances were evaluated. It was found that the single direct ethanol fuel cell having Pt1Sn1/C or Pt3Sn2/C or Pt2Sn1/C as anode catalyst showed better performances than those with Pt3Sn1/C or Pt4Sn1/C. It was also found that the latter two cells exhibited higher performances than the single cell using Pt1Ru1/C, which is exclusively used in PEMFC as anode catalyst for both methanol electro-oxidation and CO-tolerance. This distinct difference in DEFC performance between the catalysts examined here would be attributed to the so-called bifunctional mechanism and to the electronic interaction between Pt and additives. It is thought that an amount of -OHads, an amount of surface Pt active sites and the conductivity effect of PtSn/C catalysts would determine the activity of PtSn/C with different Pt/Sn ratios. At lower temperature values or at low current density regions where the electro-oxidation of ethanol is considered not so fast and its chemisorption is not the rate-determining step, the Pt3Sn2/C seems to be more suitable for the direct ethanol fuel cell. At 75 degreesC, the single ethanol fuel cell with Pt3Sn2/C as anode catalyst showed a comparable performance to that with Pt2Sn1/C, but at higher temperature of 90 degreesC, the latter presented much better performance. It is thought from a practical point of view that Pt2Sn1/C, supplying sufficient -OHads and having adequate active Pt sites and acceptable ohmic effect, could be the appropriate anode catalyst for DEFC. (C) 2003 Elsevier B.V. All rights reserved.

大气CH_4中碳稳定同位素组成的PreCon-GC/C-IRMS系统测定

利用预浓缩装置-气相色谱/燃烧-同位素比值质谱仪(PreCon-GC/C-IRMS)联用系统,建立了就采样、浓缩和在线质谱分析大气CH4中稳定碳同位素组成的测定方法。通过多组试验对比,分析并讨论了利用PreCon-GC/C-IRMS联用技术测定大气CH4中碳稳定同位素比值的试验条件、系统线性、稳定性及准确度和精密度等。结果表明,在本研究方法条件下,当离子流强度在1.0~20 V时,系统线性良好(斜率S=0.04‰/V),在4.0~15 V内其线性(斜率S=0.03‰/V)优于总体线性;系统测量稳定性可靠,δ13C值的测定结果的S.D<0.3‰,最大偏差<0.5‰,回收率达99.99%,准确度和精度均符合分析与研究要求。利用该系统对室内和室外草坪地空气中CH4的碳稳定同位素组成做初步测试,其碳同位素的平均值分别为-31.358‰和-33.085‰,且相同地点区域空气中CH4的1δ3C值,在1 d内和不同日期间的变化均在0.5‰以内,重现性良好。

Molecularly imprinted monolithic stationary phases for liquid chromatographic separation of enantiomers and diastereomers

The method for preparation of molecularly imprinted monolithic stationary phase has been improved to achieve liquid chromatographic separation of enantiomers and diastereomers. By adopting low polar porogenic solvents of toluene and dodecanol and optimal polymerization conditions, the molecularly imprinted monolithic stationary phases with good flow-through properties and high resolution were prepared. Enantiomers of amino acid derivatives and diastereomers of cinchona alkaloids were completely resolved using the monolithic stationary phases. The influence of porogenic composition, monomer-template ratio and polymerization conditions on the chromatographic performance was investigated. Some chromatographic conditions such as the composition of the mobile phase and the temperature were characterized. Scanning electron microscopy showed that the molecularly imprinted monolithic stationary phase has a large through-pore structure to allow the mobile phase to flow through the column at very low backpressure. Accelerated separations of enantiomers and diastereomers were therefore achieved at elevated flow rates. Finally, the chiral recognition performance of the prepared stationary phase in aqueous media was investigated. Hydrophobic interaction, and ionic and/or hydrogen bonding interactions were proposed to be responsible for the recognition mechanism. (C) 2002 Elsevier Science B.V. All rights reserved.

黑龙江省东部山区谷地云冷杉林衰退与其生境条件的相关性

对黑龙江省伊春林区的凉水国家级自然保护区的云冷杉林进行了调查。根据pH值、阳离子代换量、营养元素、微生物数量及云杉根部着生小斑块的大小等,分析了黑龙江省东部山区谷地云冷杉林的衰退原因。结果表明:土壤pH值与云杉死亡没有明显关系;土壤阳离子代换量低是云杉死亡的一个因素;云杉衰退与营养元素的吸收及微生物数量无明显关系;云杉的生长与根部着生小斑块的大小存在密切的相关关系,斑块越大,云杉长势越好,生存周期也更长。

Effects of the transition dipole moment function on the dynamics of ozone photodissociation: an exact 3D quantum mechanical study

The effects of the transition dipole moment function (TDMF) on the dynamics Of O-3 photodissociation in the Hartley band have been exploited by means of exact 3D time-dependent wavepacket method using the SW potential energy surface [J. Chem. Phys. 78 (1983) 7191]. The calculations show that the explicit inclusion of the TDMF results in slight uniform reductions for the intensities of recurrence peaks of the autocorrelation function and a slight broadening of the absorption spectrum, in comparison with the result where the TDMF is assumed to be constant. The pattern of recurrence structures of the autocorrelation function is essentially unaffected. (C) 2001 Elsevier Science B.V. All rights reserved.

三江源区草地生态系统综合评估指标体系

基于联合国新千年全球生态系统评估(MA)概念框架,提出了系统完整的三江源区草地生态系统评估指标体系,包括生态系统结构、支持功能、调节功能和供给功能的4大类15个一级指标、75个二级指标。针对位于青藏高原东部江河源区的草地生态系统的区域特点和人类对其功能的需求分析,设计了以土地覆盖结构和草地退化结构为核心的生态系统结构指标群;以初级生产力为核心的支持功能指标群;以水、碳调节为核心的调节功能指标群,以及以水供给和草地承载力为核心的供给功能指标群。在该指标体系中,设计了草地退化遥感分类系统,以实现年代际时间尺度草地生态系统退化过程的动态分析评估;提出了退化草地态势遥感分类系统,以实现大型生态工程实施后年际时间尺度草地生态系统退化态势的分析和评估。