ICP-AES测定钢中的微量钒、铈、钛

采用ICP－AES法同时测定了钢中微量V、Ce、Ti,并研究了基体元素和共存元素对分析元素的光谱干扰，无需用基体匹配。进行了加入回收试验、精密度试验和方法检出限的测定。方法准确、可靠、简便、快速。     

ICP-AES测定镁合金中的痕量Zr、Fe、Ni

用ICP－AES同时测定了镁合金中痕量Zr,Fe,Ni等杂质元素，不采用基体匹配法，研究了基体元素和共存元素对分析元素的光谱干扰，并进行了加入回收试验，精密度试验和方法检出限的测定。方法准确可靠，简便快速。     

ICP-AES测定钛基复合材料中镍、钕和铁的研究

采用ICP－AES法对钛基复合材料中的合金元素镍、钕、铁的测定进行了研究，着重进行了基体元素及待测元素镍、钕、铁之间干扰试验及各元素在测定浓度范围内的线性相关性试验，进行了酸度试验，测定了钛基复合材料中3种元素的含量，得到了较好的精密度和准确度。方法简便、可靠，获得满意的分析结果。     

ICP-AES法测定钛基复合材料中的Al、Mo、B的研究

本文采用ＩＣＰ－ＡＥＳ法对钛基复合材料中的合金元素Ａｌ、Ｍｏ、Ｂ的测定进行研究,着重进行了基体元素对待测元素Ａｌ、Ｍｏ、Ｂ的干扰试验及各元素在测定浓度范围内线性相关性,进行了酸度试验,测定了钛基复合材料中上述三元素的含量,得到了较好的精密度和准确度。     

ICP-AES测定镁合金中Nd、Al、Ni、Cu、Be、Zn、Mn、Ce和Si等9种元素

采用ICP-AES测定了镁合金中的Nd、Al、Ni、Cu、Be、Zn、Mn、Ce、Si9元素,进行了溶解试验、酸度试验和氢氟酸用量等试验,研究并校正了基体及共存元素对测定元素的干扰,测定值与标钢原值符合较好,低含量范围元素(<0.001mg/mL)的相对标准偏差RSD<10%;较高含量元素(0.001mg/mL)的相对标准偏差RSD<2%。方法简便、快速、可靠,可获得满意的分析结果。     

氢化物发生-原子荧光光谱法测定地质试样中的痕量锗

试验了原子化器温度，灯电流，负高压，载气流量等对原子荧光测定锗的灵敏度及线性范围的影响，考察了共存元素的干扰情况，选定了最佳工作条件，对国家土壤一级标准物质中痕量锗进行测定，测定值与标准值吻合。     

ICP－AES法测定钨合金中镍、钴、铁、锰时酸度的影响

本文研究了用电感耦合等离子体发射光谱技术测定钨合金中镍、钴、铁、锰含量的方法及酸度对测量结果的影响。用氢氟酸及硝酸处理试样，并加入适量盐酸。实验研究了测量值随氯离子浓度增大而下降的变化曲线，找出了测量不同元素的最佳测定条件，测量结果同标准值比较，误差较小。     

ICP—AES法直接测定贵金属粉末中8个贵金属元素

本文应用ＩＣＰ－ＡＥＳ法直接测定贵金属粉末中８个贵金属元素，试验了试样分解方法，测定了介质的影响，元素间的光谱干扰，给了了贵金属粉末试样中８个贵金属元素的测定含量，其结果与其它方法一致性较好，结果满意。     

ICP-AES测定铁钕合金中Ho、Er、Tb、Tm、Cu、Mo、Nb等7种杂质元素

采用ICP－AES法同时测定了铁钕合金中Ho、Er、Tb、Tm、Cu、Mo、Nb等7种杂质元素。研究了基体元素铁、主量元素钕、镝、钴、硼对杂质元素的光谱干扰情况；选择了合适的分析线；测定了分析方法的检出限。加入回收率为90．0％－108．0％。方法准确、快速、简便。     

溶剂萃取石墨炉原子吸收光谱法连续测定地质样品中金、银、镓、铟

本文提出一个新的萃取反萃取体系，用石墨炉原子吸收光谱法连续测定地质样品中的Ａｎ、Ａｇ、Ｉｎ、Ｇａ四种元素，不但有效地抑制了共存元素的干扰，而且能提高测定灵敏度和精密度。文中讨论了不同石墨管对测定的影响及元素的原子化过程，较深入探讨镍对镓的基体改进作用和机理。样品分析结果与推荐值一致。     

硫酸铜中杂质铁、铅、锌、镍的火焰原子吸收法（FAAS）测定

本文建立了一种简便快速、准确测定进口硫酸铜中铁、铅、锌、镍的火焰原子吸收方法（ＦＡＡＳ）。利用测定主成份的废液直接测定四种杂质，不需另外制备样品，简化了操作步骤，省时省力，节约试剂，且灵敏度好，准确性高，有一定的推广和应用价值。     

土壤中铅、砷、铬、铜和锌含量的连续快速测定

建立了土壤中铅、砷、铬、铜和锌含量的连续快速测定方法。土壤样品经微波消解,用同一份消解液,分别连续测定土壤中的铅、砷、铬、铜和锌含量,铬、铜和锌采用火焰原子吸收光谱法,铅和砷采用氢化物发生-原子荧光光谱法。采用本方法,对环境土壤标准样品ESS-1黑钙土(GSBZ50011)和ESS-3红壤(GSBZ50013)进行多次测定,检测结果与标样的推荐值吻合。经统计计算,回收率为95.2%—103.6%,精密度RSD均小于7%。本法操作简单快速,光谱测定结果已成功地用于无公害水果和蔬菜生产基地的土壤环境质量评价。     

XF3 ( X = N, P, As )分子价层电离势的三阶代数图-表构建法计算

应用三阶代数图-表构建法(third-order algebraic diagrammatic construction scheme 简写为ADC(3) )计算了XF3(X=N, P, As)的价层垂直电离势(VIP)。结果表明：内壳层电子关联对电离主峰位置影响非常小;来自不同理论结果的分子结构对电离主峰位置有较小影响;基组差异则表现的非常明显。由计算值和实验结果比较可知：在实验分子结构和cc-pVDZ基组下, 应用ADC(3)得到的电离势与实验值整体上差距最小;ADC(3)计算的第一电离势往往小于实验值约0.4～0.8 eV, 其余主峰位置与实验值差距约0.01～0.3 eV;随基组增大,ADC(3)结果与实验值偏差明显增大。因此, 利用ADC(3)方法计算价层电离势时,建议使用价层电子关联,基组则采用cc-pVDZ或DZP, 结构实验外也可直接从实验或耦合簇、密度泛函等理论获得。     

A density functional theory investigation of the stability,aromaticity, and photophysical behavior for the highly conjugated macrocycles containing 4 pyrroles

Porphyrin ( Pr ), porphycene ( Pc ), and [22]porphyrin(2.2.2.2) ( P[22] ) have been theoretically investigated. We design 2 highly conjugated macrocycles containing 4 pyrroles with different linkage bridges, which are named for 4 pyrrole ( Pf ) and methylene‐dipyrrolidine ( Pm ), as the theoretical model so as to investigate the stability, aromaticity, and photophysical behavior of these porphyrin derivatives, and the influence of getting or losing electron to the neutral molecule. The geometric structures of the molecules are optimized by density functional theory method. The absorptions are calculated by the time‐dependent density functional theory method. Based on the optimized structures, the nucleus‐independent chemical shifts (NICS) are calculated. The molecule with negative NICS value possesses larger highest occupied molecular orbital (HOMO)‐lowest occupied molecular orbital (LUMO) gap than that with positive NICS value, the molecule with bigger positive NICS value possesses smaller HOMO‐LUMO gap, and the molecule with bigger negative NICS value (in absolute value) possesses bigger HOMO‐LUMO gap. The current density indicates that the π‐electron delocalization is more effective in Pr and Pc than in Pf , Pm , and P[22] and corresponds to the stability of molecules. The absorptions of the molecules are all in the UV‐visible and infrared regions. The major transitions for most of the molecules are all from HOMO to LUMO. Compared with Pf ^2? , Pr ^2? , Pc ^2? , and P[22] ^2? , Pm ^2? shows distinctive photophysical properties, which is due to the reduced HOMO‐LUMO gap, structural distortion, and strong antiaromaticity.     

Refractive index,band gap energy,dielectric constant and polarizability calculations of ferroelectric Ethylenediaminium Tetrachlorozincate crystal

Single crystal of Ethylenediaminium Tetrachlorozincate has been grown by slow evaporation method. The single crystal XRD study confirms the orthorhombic structure of the crystal. The presence of functional group vibrations are ascertained through FTIR and Raman studies. In optical studies, the insulating behaviour of the material is established by Tauc plot. The refractive index and the real dielectric constant of the crystal are calculated. The electronic polarizability in the high frequency optical region is also calculated from the dielectric constant values by using the Clausius–Mossotti equation. The large value of dielectric constant is identified through dielectric studies and it points to the ferroelectric behaviour of the material. Further an experimental study confirms the ferroelectric behaviour of the material. The total polarizability of the crystal owing to the space charge, dipole, ionic and electronic polarizability contributions is obtained experimentally, and it matches well with the theoretically obtained value from Penn analysis. Further, Plasmon energy and Fermi energy of the material are also calculated using Penn analysis.     

A method of linearization for Painlevé equations: Painlevé IV, V

A method to linearize the initial value problem of the Painlevé equations IV, V is given. The procedure involves formulating a Riemann-Hilbert boundary value problem on intersecting lines for the inverse monodromy problem. This boundary value problem is reduced to a sequence of standard problems on single lines in a certain range of parameter space. Schlesinger transformations allow one to completely cover the parameter space. Special solutions are constructed from special cases of the Riemann problem as well.     

Admissible coordinate systems for static,spherically symmetric stellar models

For static, spherically symmetric stellar models it is shown that imposing the condition that the determinant of the metrical coefficients takes on its flat space-time value everywhere is sufficient to ensure that the coordinates are admissible in the sense of Lichnerowicz. The general method of solution is illustrated by integrating the equations for a star of constant, uniform density.     

Electronic model for VCSELs: Switching mode, control of threshold current and saturation

An electronic model of VCSELs based on the mathematical rate equations of Danckaert et al. [J. Danckaert, B. Nagler, J. Albert, K.K. Panajotov, I. Veretennicoff, T. Erneux, Opt. Commun. 201 (2002) 129] is built. The polarization switching (PS) phenomenon is generated. The PS phenomenon here is analyzed using two methods. In the first method, the behavior of the polarization modes is investigated in terms of the injection voltage parameter. A threshold voltage value and a switching value are obtained as prescribed by the theoretical model. In the second method, the ratio of the voltages (modes) outputs is plotted in terms of the voltage parameter. It is found that the ratio reaches a maximum at a critical value of the voltage parameter. Controlling the threshold current, it is found that it can be reduced voluntarily by the use of an external voltage supplier (denoted E₂). When E₂ increases, the threshold current decreases and the maximum reached by the polarization mode increases. When the control voltage is high and below a second critical value, the polarization modes saturate to the same value. But above this critical value, they saturate to opposite values.     

白簕叶总黄酮的提取和纯化及其抑菌试验初探

观察白簕叶中总黄酮的抑菌作用。采用微波辅助法从白簕叶中提取黄酮化合物,经HPD-600型树脂纯化,通过圆形滤纸片法和二倍稀释法分别对黄酮提取液进行了抑菌试验和最小抑菌浓度(MIC)的测定。HPD-600型树脂纯化后的黄酮纯度达到21.3%,对3种供试菌的抑菌作用为大肠杆菌金色葡萄球菌芽孢杆菌,随着总黄酮浓度的增加,其抑菌作用也增强。白簕叶总黄酮对大肠杆菌、金色葡萄球菌、和芽孢杆菌的MIC分别为原液的1/4、1/2倍和1倍。本方法为白簕的药用价值开发开辟了新途径。     

表面辐射测温方法的设计原理

讨论了表面辐射测温方法的设计中所包含的几个基本问题:辐射的光谱和方向复杂性问题、光学设计问题以及电路设计问题,给出了具有普适意义的辐射测温基本分析式。比较了绝对辐射测温方法和相对辐射测温方法,指出前者须做标定,并且不宜进行温度场测量;后者无须标定,适合于温度场测量。