金属石墨层间化合物的量子化学和热力学研究

采用量子化学密度泛函B3LYP方法,对碱金属、碱土金属和过渡金属石墨层间化合物(A-GIC,AE-GIC和T-GIC)进行计算.从原子净电荷、Mulliken重叠布居和轨道电子数等角度讨论了A-GIC和AE-GIC的电子结构与成键特性,初步阐明了结构与性能的关系.根据计算结果,结合热力学分析,讨论实验上尚未知的过渡金属石墨层间化合物合成的可能性.     

PCBs的超(亚)临界水催化氧化及还原裂解

简要分析了多氯联苯(PCBs)的来源及其对环境构成的危害,介绍了PCBs在超（亚）临界水中的反应及其处理效果。分别从超临界水氧化、超临界水裂解及亚临界水还原三个方面阐明了超临界反应过程中PCBs降解的反应路径和降解效率,解释了共溶剂（甲醇、苯）、碱催化剂（Na₂CO₃、NaOH）、氧化剂（NaNO₃、NaNO₂）等对PCBs脱氯和分解的增效作用机理。发现在超临界水氧化与超临界水裂解条件下CH3OH对PCBs降解反应的促进机制有所不同,碱催化剂通过中和反应过程中产生的HCl生成NaCl沉淀导致体系中Cl的含量降低,从而促进脱氯反应的进行。对反应器防腐、处理的经济性方面略作讨论,在总结上述研究工作的基础上提出了PCBs的超临界反应处理技术未来发展的若干研究方向。     

基于最小偏向角法的高精度液体折射率测量装置的优化设计与测量研究

为了实现利用最小偏向角法对无定形流体的高精度折射率测量,设计了一种全新的恒温空心三棱镜装置,对该装置的光路和恒温组件进行精确设计,将其应用于测量液体折射率,对测量结果和不确定度进行定量分析。首先,通过对三棱镜光学平面的精确设计和加工,实现对测量光线的精准控制。其次,通过对恒温夹套内空心管路的迂回设计,使测量池内液体的温度波动和温场均匀性满足高精度折射率测量要求。最后,将该装置应用于液体折射率测量,定量分析了各影响因素的测量不确定度。实验结果表明：对于水、异辛烷、四氯乙烯3种液体,其折射率测量精度达到10-7,测量不确定度可低至10-5。实现了用最小偏向角法对液体折射率的高精度测量。     

Al-Sb-Yb三元系室温相图

稀土的开发和综合利用已成为材料科学的重要课题,而相图是材料科学的基础。测定Al-Sb-Yb三元系室温相图,将对该系合金材料的发展,扩大锑、铝的应用和改善铝合金的性能是有益的。Al-Sb二元系有一个同成分熔化的计量化合物AlSb(图la),Al-Yb二元系存在两个中间相Al_2Yb和Al_3Yb,均为计量化合物(图1b),Sb-Yb二元系存在     

Crystal thickness and sphere dispersion dependence of the photonic band gap of silica colloidal crystals

Experimental results demonstrate that the band gap of colloidal suspension crystal changes with both the thickness of crystal and the dispersity of micro-spheres.As the thickness decreases,a red shift of band gap is observed,and there is a maximum of red shift.The values of the maximum red shifts are dependent on the standard deviations of micro-spheres.The experimental results are consistent with theoretical calculation.As the colloidal suspension crystal is assembled from micro-spheres with a standard deviation of 8.4% in a thick cell,an incident angles independent broadband is observed,which is explained as an amorphous structure.Two amorphous models are discussed.     

Nd扩渗BaTiO_3陶瓷的电性能与XPS研究

采用气相法对钛酸钡陶瓷扩渗Nd元素,经Nd扩渗BaTiO3陶瓷的电性能发生了十分显著的变化。通过正交实验,确定了最佳扩渗条件,当Nd的浓度为2%,扩渗时间为4h,扩渗温度为860℃时,BaTiO3陶瓷的导电性最好,其室温电阻率从4 3×109Ω·m下降为37 45Ω·m,而且随着温度升高,交流电导逐渐增大,导电性更强。Nd扩渗使BaTiO3陶瓷的介电常数增加,而介电损耗降低,BaTiO3陶瓷的介电性能得到了显著改善。经Nd扩渗BaTiO3陶瓷的介电常数随着温度的变化呈明显的PTC效应,其居里温度降低为118 1℃。经XPS测试分析,给出了Nd扩渗BaTiO3陶瓷体系中各元素结合能位置的峰值,并表明Nd扩渗BaTiO3陶瓷中Nd,Ba,Ti都存在变价,因而导致了BaTiO3陶瓷导电性的增强。     

α、β、γ、δ-四(4-三甲氨基苯基)卟啉与钌(Ⅲ)显色反应的研究

本文研究了α、β、γ、δ-四(4-三甲氨基苯基)卟啉(简称TAPP)和钌的显色反应。其最大的吸收波长位于436nm,表观摩尔吸光系数为5。25×10~5L·mol~(-1)·cm~(-1),钉的浓度在0～2.5μg/10ml范围内服从比尔定律,络合物的组成比为Ru:TAPP=1:1。该法用于合成矿样分析,结果满意。     

钐和钆对K10H3[Dy(SiW4Mo7O39)2]配合物的化学热扩渗及其导电性的研究

报道了Sm,Gd通过固 气界面反应对K10H3[Dy(SiW4Mo7O39)2]配合物的稀土多元渗。经ICP,IR测试表明:微量Sm,Gd可渗入到杂多配合物K10H3[Dy(SiW4Mo7O39)2]体相,XPS能谱分析证实了稀土元素的存在并与化合物有键合作用。采用四电极法对扩渗前后试样进行了导电性能的测定,扩渗后试样的导电率提高了0 9356×104倍。     

Nd2O3添加量对BaTiO3陶瓷介电性能的影响

BaTiO₃ ceramics doped with Nd₂O₃(the additive content was respectively 0.001,0.002,0.003,0.005,0.01,0.03mol)were prepared by Sol-Gel method. Effects of Nd₂O₃ contents on the dielectric constant (ε), the dielectric loss (tanδ) ,the Curie-temperature (T_C) and the resistivity (ρ) of BaTiO₃ ceramic were studied. When Nd₂O₃ content was 0.001mol and 0.002mol, the dielectric constant was increased obviously, but the dielectric loss was also increased. When Nd₂O₃ content was 0.003mol, the dielectric constant was increased, and the dielectric loss was decreased, which was suitable for application in condenser. The resistivity was decreased obviously with the increasing of Nd₂O₃ contents, the resistivity was the smallest when Nd₂O₃ content was 0.001mol. The Curie-temperature was also decreased with the increasing of Nd₂O₃ contents.