大气有机硫酸酯化合物的特征及形成机制

本文总结了大气二次有机气溶胶的重要组分——有机硫酸酯化合物的特征及其形成机制的研究进展,并对相关研究进行了展望。近年来,通过实验室模拟与欧美地区的实际大气气溶胶样品的分析对比,发现有机硫酸酯化合物多由异戊二烯、α-/β-蒎烯以及其他单萜烯和倍半萜烯等经OH自由基、NO₃自由基或臭氧氧化后的反应产物与硫酸或硫酸盐气溶胶进一步反应而形成。有机硫酸酯化合物也可以通过硫酸或硫酸盐气溶胶反应性获取乙二醛等羰基化合物而形成。硫酸盐气溶胶酸性的增强会促进有机硫酸酯化合物的生成。有机硫酸酯化合物在水溶液中比较稳定,强酸性条件下才会发生水解作用。目前有机硫酸酯化合物的有效检测手段是离线电喷雾电离质谱(electrospray ionization mass spectrometry, ESI-MS)或在线气溶胶质谱(aerosol mass spectrometry, AMS)方法。     

取代基对多取代氮苄叉苯胺化合物分子桥键（CH=N）的13C NMR和1H NMR的影响

Fifty-three samples of multi-substituted benzylideneanilines XArCH=NArYs (abbreviated XBAYs) were synthesized and their NMR spectra were determined. An extensional study of substituent effects on the ¹H NMR chemical shifts (^δH(CH=N)) and ¹³C NMR chemical shifts (^δC(CH=N)) of the CH=N bridging group from di-substituted to multi-substituted XBAYs was made based on a total of 182 samples of XBAYs, together with the NMR data of other 129 samples of di-substituted XBAYs quoted from literatures. The results show that the substituent specific cross-interaction effect parameter (Δ(Σσ)²)plays an important role in quantifying the ^δC(CH=N) values of XBAYs, but it is negligible for quantifying the ^δH(CH=N) values; the other substituent parameters also present different influences on the ^δC(CH=N) and ^δH(CH=N). On the whole, the contributions of X and Y to the ^δC(CH=N) of XBAYs are balanced, but the ^δH(CH=N) values of XBAYs mainly rely on the contributions of X.     

基于系统动力学模型的青岛市水资源承载力研究

在全面分析青岛市水资源现状的基础上,利用系统动力学方法建立了青岛市水资源承载力仿真模型,并对模型的有效性进行了检验.通过改变模型相关决策参数,仿真模拟了自然延续型、经济发展型、节水发展型、综合发展型4种不同方案下青岛市2011-2030年水资源承载力的动态变化情况.结果 表明,综合发展型方案是保证青岛市水资源可持续利用...     

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分别采用机械打磨去镍加热镀锡工艺和反电镀去镍加电刷镀银工艺制作一对接头,然后对接头进行低温直流测试,测得前者的直流电阻为1.98n-,后者的直流电阻为1.53n-。对比分析可知,反电镀去镍和电镀银工艺更有效、更简单。这些工艺研究对ITER校正场线圈超导接头的制作具有重要指导意义。     

一种中药荧光指纹图谱的光谱图像构建方法

利用液晶光谱仪通过光谱成像法对黄柏和人参总皂甙进行了荧光光谱图像检测,采用滤波器与像素点定位联用的方法提取有效像素点,获取它们的荧光光谱图像,绘制了相应的中药荧光指纹图谱.结合欧氏距离的判定方法,将滤波器与像素点定位联用法、像素点优选法和背景差分算法所得的荧光指纹图谱进行比较,三种方法的差异由小到大的排序为滤波器与像素点定位联用法,背景差分算法,像素点优选法.说明滤波器与像素点定位联用法所得荧光指纹图谱稳定性最好,谱线最优.实验结果表明该方法可以用于构建中药荧光指纹图谱,从而提出了一种新的用于中药指纹图谱构建中提取有效像素点的可行方法.     

合肥先进光源储存环初步物理设计

我国最近立项建设的合肥先进光源将是一台软X射线与真空紫外衍射极限储存环光源,其电子束能量为2.2 GeV,周长为480 m,束流自然发射度为86 pm·rad,共有20个长直线节和20个短直线节。介绍了目前合肥先进光源储存环物理设计的进展情况,包括磁聚焦结构设计与优化,束流注入和集体效应的模拟与计算。     

含羧酸镁(钙)官能团的多孔芳香骨架材料储氢性能的预测

用MP2方法,TZVPP基组以及基组重叠误差(BSSE)校正计算了氢分子与修饰在多孔芳香骨架(PAF)上的羧酸镁、羧酸钙官能团的相互作用,并建立了描述这一相互作用的分子力学力场.在此基础上用巨正则系综蒙特卡洛(GCMC)模拟预测了氢气在该种新型PAF材料上的吸附等温线.量子化学计算结果表明,每个羧酸镁、羧酸钙官能团分别可以提供13、14个氢分子吸附位点,与每个氢分子的平均结合能在8kJ·mol-1左右.通过比较不同温度和压力下材料的绝对吸附量和超额吸附量发现,在PAF骨架中引入羧酸镁、羧酸钙官能团可以显著提高材料的综合储氢性能,达到并超过了美国能源部提出的2015年储氢标准.同时该工作还揭示了氢吸附量与材料的表面积、空腔体积和分子作用强度间的复杂关系.     

The magnet design for the HLS storage ring upgrade project

In order to improve the performance of the Hefei Light Source (HLS), in particular to get higher brilliance synchrotron radiation and increase the number of straight section insertion devices, an upgrade project called HLSII will be launched soon. The storage ring lattice, which has a double bend achromatic structure with four periods, comprises eight dipoles, 32 quadrupoles and 32 combined function sextupoles. The design and analysis of the magnets are shown in this paper, along with the optimization of the multipurpose combined function magnet, which consists of three magnets: skew quadrupole, horizontal dipole and vertical dipole, with the main sextupole magnet. This type of magnet is the first one that has been designed and used in China. The mechanical design and fabrication procedures for the magnets are also presented.     

Tracking simulations for the HLS-Ⅱ with a passive harmonic cavity in the symmetricand asymmetric fill patterns

A simulation code that executes the tracking of longitudinal oscillations of the bunches for the double rf system of the Hefei Light Source Ⅱ Project (HLS-Ⅱ) is presented to estimate the mean beam lifetime and the Robinson instabilities. The tracking results show that the mean beam lifetime is in agreement with the analytical results and the system is stable when we tune the harmonic cavity in the optimum lengthening conditions. Moreover, the simulated results of the asymmetric fill pattern show that some bunches are compressed only with a 7% gap (3 gaps), which will lead to the reduction in the mean bunch lengthening and potential beam lifetime. It is demonstrated that HLS-Ⅱ with a passive higher harmonic cavity is not suitable for operating in an asymmetric fill pattern.     

具C-D函数的拉姆齐模型分析

本文给出了具 C- D函数的拉姆齐模型dkdt=Akα- c/ l - nkdcdt=σ(Aαkα-1-θ - n) c(R)并对该系统的性态作了数学分析且给出其经济意义 .