烷氧基苯基卟啉与环糊精的超分子体系研究

合成了5种非水溶性烷氧基苯基卟啉, 以荧光光谱法、紫外可见分光光度法和1H NMR法研究了其与环糊精相互作用形成的超分子体系. 并以荧光光谱法测定了超分子体系的包结常数和包结比, 对其包结机理进行了初步研究. 在此基础上, 探讨了不同取代位置、不同链长的烷氧基对非水溶性烷氧基苯基卟啉与不同空腔直径的环糊精的超分子体系的影响.     

高挥发分烟煤的快速预热

將有一定粘結性的高揮發分烟煤用固体热載体进行快速預热,至一定的溫度并保持一定恒溫时間,使其进行热分解后再冷却。这样处理后的煤,其粘結性的变化因預热溫度升高而下降,到最低后又复上升。有的可以超过原煤样的粘結性,这种变化規律也表現在处理后煤样的热瀝青抽出量及焦炭强度上。快速預热时,揮發分的析出量較少,但也降低了揮發分,对煉焦时有减少收縮的作用。預热对于没有粘結性的高揮發分烟煤的作用则不明显。     

分布式光纤测温在蒸汽管路监测上的应用及滤波北大核心CSCD

面对热电厂中存在的高温蒸汽管路输送距离长、泄漏点难以寻找的问题,搭建分布式光纤测温系统,对蒸汽管路的温度场进行监控。系统根据拉曼散射原理解调出了管道沿线铺设光缆中反射光信号内含有的温度信息,并根据光时域反射技术将温度与对应的管道进行位置匹配。同时系统通过卡尔曼滤波算法对解调出的温度信号进行了滤波,结果证明卡尔曼滤波能够将系统测量的温度波动降低至1℃。     

基于表面增强拉曼光谱的市售氢溴酸右美沙芬止咳糖浆的生产溯源和产品质控研究

药物生产过程中的质量控制与市售成品药物的生产溯源是保障消费者用药安全的关键环节。目前常见的药物分析方法存在操作繁琐或抗干扰能力差等问题,实现高效快速的药物分析仍是尚未解决的难题。基于表面增强拉曼光谱（SERS）的指纹图谱高分辨能力和痕量检测灵敏度,结合主成分分析（PCA）方法对弱信号的准确识别和分类能力,该文开展了氢溴酸右美沙芬止咳糖浆成品药的产地溯源（不同厂家）和产品质控（某一厂家）的可行性研究。通过支持向量机（SVM）分类算法验证,SERS-PCA方法对不同厂家分类的准确度为100%。研究结果为推动“SERS+化学计量学”在药物分析领域的实际应用提供了一种切实可行的参考方案。     

点集拓扑学之杨忠道定理的一个机械化证明

本文给出一种用高阶逻辑自动证明语言Isabelle在计算机中表示拓扑空间中开集、闭集、邻域和导集等基本概念的方法,在此基础上证明点集拓扑学中著名的杨忠道定理,即一拓扑空间的任意单点集的导集为闭集,则其任意子集的导集亦为闭集.     

Absolute differential, elastic integrated and moment transfer cross sections for electron--OCS collisions at intermediate and high energies

A complex optical model potential modified by incorporating the concept of bonded atom, which takes into consideration the overlapping effect of electron clouds between atoms in a molecule, is firstly employed to calculate the absolute differential, elastic integrated and moment transfer cross sections for electron scattering by OCS over the incident energy range from 200 to 1000\,eV using the additivity rule model at Hartree--Fock level. The calculated results are compared with those obtained by experiment and other theories wherever available, and good agreement is obtained over a wide energy range. It is shown that the additivity rule model together with the modified potential is completely suitable for calculating the absolute differential, elastic integrated and moment transfer cross sections of electron scattering by molecules such as OCS.     

紫激光作用下四甲基硅多光子电离TOF质谱研究

本文采用超声分子束技术，以飞行时间质谱仪，在３９６～３８７ｎｍ内的紫激光作用下对四甲硅进行了多光子电离飞行时间质谱的研究，在较高在激光能量作用下检测到了Ｓｉ（ＣＨ３）＾＋ｎ（ｎ＝１，２，３，）、Ｓｉ＾＋及Ｃ＾＋２等多种离子的信号，在较低的激光能量作用下只检测到了Ｓｉ＾＋、Ｃ＾＋２等离子的信号，表明四甲基硅在不同激光能量作用下经历了不同的多光子电离过程。     

基于菲涅耳域的双随机相位编码系统的选择明文攻击

用密码分析学的方法对菲涅耳域双随机相位加密系统进行了安全性分析，并提出了一种选择明文攻击的方法，利用多个冲击函数作为选择的明文，成功破解了菲涅耳域的双随机相位加密系统，并给出了密钥的解析式.此方法最大的优点在于解密的无损性，并从理论上加以证明，给出了模拟实验结果. 关键词： 信息光学 双随机相位加密 选择明文攻击 菲涅耳变换     

浅海环境噪声垂直指向性探测海底参数

浅海环境噪声垂直指向性和海底地声参数密切相关,可以利用它来反演海底参数。本文在水平分层介质噪声场模型下,讨论了海底参数对噪声垂直指向性的敏感度,并假设半无限大液态海底,采用效率较高的自适应单纯形模拟退火算法全局寻优,根据中国某海区实测噪声数据,估计了海底声速、密度及衰减,分析了反演结果的不确定性。鉴于声速和密度在不同频率的反演结果不够一致,文中提出多频海底参数联合反演方法,提高了反演海底声学参数的精度。     

Elastic Collisions Between two Ground-State P and D Atoms at Low and Ultralow Temperatures

The PD（X^3∑^-） interaction potential is constructed using the CCSD（T） theory and the basis set, augcc-pV5Z. Using this potential, the spectroscopic parameters are accurately determined. The present Do, De, Re, ωe, ωeχe, αe, and Be are of 3.056 99 eV, 3.161 75 eV, 0.142 39 nm, 1701.558 cm^-1, 23.6583 cm^-1, 0.085 99 cm^-1, and 4.3963 cm^-1, respectively, which almost perfectly conform with the measurements. A total of 26 vibrational states is predicted when J = 0 by solving the radial Sehrodinger equation of nuclear motion. The complete vibrational levels, classical turning points, initial rotation and centrifugal distortion constants when J = 0 are reported for the first time, which favorably agree with the experiments. The total and various partial-wave cross sections are calculated for the elastic impact between two ground-state P and D atoms at 1.0 × 10^-12 - 1.0 × 10^-4 a.u. when they approach each other along the PD（X^3∑^-） potential. No shape resonances exist in the total elastic cross sections, though the peaks can be found for each partial wave until l=6. The shape of the total elastic cross sections is dominated by the s partial wave at very low temperatures. Due to the weakness of the shape resonances of each partial wave, they are all passed into oblivion by the strong total elastic cross sections.