基于三氰基铁(Ⅲ)酸盐的FeⅢ4NiⅡ2六核配合物的合成、结构及磁性

利用三氰基铁酸盐(Bu₄N)[Fe^Ⅲ(Tp)(CN)₃](Tp=氢化三(1-吡唑基)硼酸)与配体2,9-二吡唑基-1,10-菲咯啉(dpzpen)以及高氯酸镍反应合成了一例氰根桥联的Fe^Ⅲ₄Ni^Ⅱ₂六核配合物[Fe₄Ni₂(Tp)₄(CN)₁₂(dpzpen)₂]·12H₂O·3CH₃OH(1)。结构研究表明配合物1具有近似菱形的Fe^Ⅲ₂Ni^Ⅱ₂骨架结构,另外2个Fe(Ⅲ)则通过氰根延伸在菱形的外侧。磁性研究表明在配合物1中氰根桥联的Fe(Ⅲ)和Ni(Ⅱ)表现出铁磁相互作用。更为重要的是,基于配合物1的结构模型,对它的变温磁化率数据进行拟合得到了不同Fe(Ⅲ)-Ni(Ⅱ)之间的磁耦合常数,得到的最佳磁耦合常数J_3d (15.73 cm^-1)>J_2d (3.53 cm^-1)≈J_1d (3.50 cm^-1)与Ni—N键的键长以及Ni—N≡C键角的变化趋势有关(J_3d： 0.206 5 nm,169.8°; J_2d： 0.206 2 nm,163.1°; J_1d： 0.198 7 nm,161.6°)。以上结果表明Ni—N键长越短,Ni—N≡C键角越大,Fe(Ⅲ)与Ni(Ⅱ)之间的铁磁耦合越强。     

基于低空成像高光谱系统探测植被日光诱导叶绿素荧光

植被叶绿素荧光与光合作用关系密切,被认为是光合作用的有效探针。该研究利用成像高光谱传感器和无人飞艇构建了一套适用于低空叶绿素荧光探测的系统。针对低空叶绿素荧光探测中,太阳下行辐射光谱难以获取的情况,基于已有的aFLD方法,提出一种新的叶绿素荧光提取方法a3FLD,该方法利用了非荧光发射体,且考虑植被反射率在夫琅和费线附近的变化。通过模拟数据以及实测数据对两种提取结果进行了比较。模拟数据分析结果显示：当地物的反射率在夫琅和费线附近存在一定的变化时,a3FLD计算得到的荧光值误差小于aFLD,地物反射率变化越大,a3FLD的改进越明显。对低空高光谱影像数据的分析显示：aFLD和a3FLD提取不同植被的日光诱导叶绿素荧光相对大小关系相一致,与作物所处的生长阶段吻合。但aFLD荧光提取值比a3FLD高15%左右。aFLD的结果中有部分非荧光发射体得到较强荧光,a3FLD能改进此问题。结果显示,利用该系统和方法能够成功地提取到植被叶绿素荧光,且所提出a3FLD方法提取的结果优于aFLD方法。     

表面活性剂类多肽A6KA6K的自组装及机理研究

为了研究表面活性剂类多肽疏水链段长度及亲疏水氨基酸比例对其自组装结构的影响,本文设计了一种表面活性剂类多肽A6K的二倍体A6KA6K。圆二色谱分析表明的二级结构主要为无规卷曲结构并伴有少量的α-螺旋;透射电子显微镜和动态光散射分析表明,其在水溶液中能自组装形成纳米囊泡状结构。芘荧光分子探针研究表明自组装体存在疏水微区域将芘分子包裹在其中,证明了这种多肽在溶液中可形成胶束类的自组装体,并计算了其临界胶束浓度。相比已报道的表面活性剂类肽A6K,本文设计的肽序列A6KA6K由于在较长疏水链段区域中存在亲水性氨基酸K,对疏水相互作用有影响,使得含有14个氨基酸的肽自组装形成纳米囊泡状结构。     

杭州城西河网清淤优化调度

引水进入城市河网可快速提升河道水质,但也会导致泥沙淤积等问题;城市河网不仅河道众多,还有水闸等水工建筑物,使得水沙输移问题变得更为复杂.为了使泥沙尽量少淤积于不易清淤的河道,需优化河网水闸的调度.首先建立了考虑水闸的河网一维泥沙输移数学模型,利用实测水沙数据验证其精度.通过模型计算不同引水流量工况下杭州城西河网泥沙的淤积量及淤积分布,得到泥沙淤积率最低以及最利于清淤时的河网水闸优化调度方案,可为城市河网泥沙减淤及清淤提供理论依据和参考.     

行波堆深燃耗的计算特点

行波堆属于新概念堆型,卸料燃耗深度可达400 GWd/tHM,是现有快堆的3~4倍、压水堆的6~8倍,较高的卸料燃耗深度对堆芯物理分析工具计算正确性提出挑战。基于此,以KYLIN-1程序为基础,从能谱、裂变产物核素重要性、燃耗计算误差累积等方面探究行波堆深燃耗计算特点。对典型行波堆六角形组件分析结果表明:低富集度铀组件寿期初、末能谱差别较大,采用单一权重谱制备的多群截面库用于其燃耗计算时,无限增殖系数偏差较大;为保证行波堆深燃耗计算的正确性,燃耗链应包含重要的70种裂变产物核素;行波堆深燃耗计算时,由于燃耗步增多累积的误差较小,无限增殖系数偏差每燃耗步约为0.001%。     

反气相色谱法与Hansen溶解度参数法测定聚乙烯醇溶解度参数及相关热力学性质

采用反气相色谱（IGC）法,以聚乙烯醇（PVA）为固定相,脂肪族、芳香族、醇、酮及卤代烃5类18种化合物为探针分子,研究PVA的溶解性质并获得了PVA在383.15～423.15 K范围内的溶解度参数（δ₂）及相关热力学性质,并与Hansen溶解度参数法（HSP）测得的溶解度参数（δ_T）进行比较。结果表明,5类溶剂对PVA溶解能力的趋势为酮类 >醇类 >卤代烃、芳香类、脂肪族类>脂环族,卤代烃、芳香类和脂肪族类溶剂的溶解能力相似;在测试温度范围内PVA的δ₂随温度升高而增加;采用IGC法外推出室温（298.15 K）下PVA的δ₂为27.69 （J/cm³）^0.5,与HSP法测得室温下PVA的δ_T（27.77 （J/cm³）^0.5）一致。PVA溶解度参数及相关热力学参数的研究为其应用及相关研究提供了定量依据。     

包含ptC的Au(I)配合物催化烯丙基醋酸盐重排反应的理论研究

理论上,采用密度泛函理论研究两类包含平面四配位碳的Au(I)配合物([Au(C3H2BR)]⁺, R = Me, t-Bu)催化烯丙基醋酸盐的重排反应。计算结果表明,配合物[Au(C₃H₂BR)]+催化烯丙基醋酸盐重排反应相比较文献中报道的催化剂[Au(NHC)]⁺而言,能垒降低了9.2-11.7 kJ.mol^-1。因此,除了配体CO和NHC之外,配合物[Au(C₃H₂BR)]⁺中的新型配体将会在配位化学以及有机化学中具有应用潜力。     

Test particle simulations of resonant interactions between energetic electrons and discrete,multi-frequency artificial whistler waves in the plasmasphere

Modulated high frequency(HF) heating of the ionosphere provides a feasible means of artificially generating extremely low frequency(ELF)/very low frequency(VLF) whistler waves, which can leak into the inner magnetosphere and contribute to resonant interactions with high energy electrons. Combining the ray tracing method and test particle simulations, we evaluate the effects of energetic electron resonant scattering driven by the discrete, multi-frequency artificially generated ELF/VLF waves. The simulation results indicate a stochastic behavior of electrons and a linear profile of pitch angle and kinetic energy variations averaged over all test electrons. These features are similar to those associated with single-frequency waves. The computed local diffusion coefficients show that, although the momentum diffusion of relativistic electrons due to artificial ELF/VLF whistlers with a nominal amplitude of ～ 1 pT is minor, the pitch angle scattering can be notably efficient at low pitch angles near the loss cone, which supports the feasibility of artificial triggering of multi-frequency ELF/VLF whistler waves for the removal of high energy electrons from the magnetosphere. We also investigate the dependences of diffusion coefficients on the frequency interval(△f) of the discrete, multi-frequency waves.We find that there is a threshold value of △f for which the net diffusion coefficient of multi-frequency whistlers is inversely proportional to △f(proportional to the frequency components Nw) when △f is below the threshold value but it remains unchanged with increasing △f when △f is larger than the threshold value. This is explained as being due to the fact that the resonant scattering effect of broadband waves is the sum of the effects of each frequency in the ‘effective frequency band’. Our results suggest that the modulation frequency of HF heating of the ionosphere can be appropriately selected with reasonable frequency intervals so that better performance of controlled precipitation of high energy electrons in the plasmasphere by artificial ELF/VLF whistler waves can be achieved.     

Room-Temperature Magnetism Realized by Doping Fe into Ferroelectric LiTaO3

We synthesize LiTal-x FexO3-σ （LTFO） remain single phase up to x = 0.09 ceramics by the conventional solid-state reaction method. The samples The magnetic measurements show that the doping of Fe successfully realizes ferromagnetism of LTFO at room temperature. The dielectric measurements indicate that LTFO is ferroelectric, similarly to LiTaO3 （LTO）, but its ferroelectric Curie temperature seems to decrease with the increasing Fe content. By means of doping Fe ions into LTO, the coexistence of spontaneous electric polarization and spontaneous magnetic moment is realized at room temperature.     

线照明并行谱域光学相干层析成像系统与缺陷检测应用研究

针对玻璃缺陷在线无损检测的迫切需求,本文报道了一种基于线照明并行谱域光学相干层析成像系统的大视场检测系统.该系统采用快速面阵CMOS相机,单次拍摄即可获取完整的横截面(B-scan)图像.基于线照明面阵探测器的并行谱域光学相干层析成像系统,可以同时获取沿线照明方向各位置处的深度分辨信息,避免了横向扫描机构的应用.研制系统的轴向分辨率为17.9μm,并行方向上的横向分辨率55.7μm,扫描方向上的横向分辨率为24.8μm,轴向扫描速率为128 000 A-scan/s,横向视场为32 mm,空气中成像深度大于6 mm,成像灵敏度达到62 dB以上.利用研制的线照明并行谱域光学相干层析成像系统,开展了不同类型玻璃表面及其内部缺陷的检测应用研究.