双原子分子振动能级半量子化及量子理论的数值计算

利用半经典量子化理论和量子理论，分别采用Ｌｅｎｎａｒｄ－Ｊｏｎｅｓ势和Ｍｏｒｓｅ势，对双原子分子的振动能级给予了较为详细的数值计算。并将所得结果与部分实验数据进行比较，峄双原子分子的振动能级作了较为详细的 讨论。     

手征对称破缺模型中相对论Hartree近似下的巨单极和巨四极态

本文在相对论平均场理论框架下,用手征对称破缺模型讨论核物质的可压缩因子,用局域的Lorentz变换和Scaling坐标方法讨论了巨单极和巨四极共振激发能量.将所得结果与QHD(Quantum hadrodynamics)的σ-ω模型计算结果比较,发现可压缩因子、巨单极及巨四极态的激发能都比σ-ω模型的计算结果更加接近于实验值.     

含苯并咪唑锌配合物的合成、表征及晶体结构

The complex of [N,N,N′,N′-tetrakis(2-benzimida zolyl methyl)-1,4-diethylene amino]-glycol ether (EGTB) with zinc(Ⅱ), [Zn₂(EGTB)Cl₂](ClO₄)2·CH₃OH·3H₂O was synthesized and characterized with element analysis , UV and IR spectroscopy, and X-ray diffraction method. The crystal belongs to monoclinic with space group of P2₁/c. The cell parameters are a=1.437 6(2) nm, b=2.526 50(4) nm, c=1.435 31(2) nm, β=101.7037(8) °, Z=4, F(000)=2 376, D_c=1.503g·cm^-3, The final R=0.080 4, wR₂=0.2236. Biological activities of the complexe was traced by UV-Vis spectrum. The result demonstrates that the complexe has good catalytic abliliy. CCDC: 180994.     

电解液中带电平板与带电胶体球之间的有效相互作用

用Poisson-Boltzmann方程，计算了在具有单价离子的电解质溶液中均匀地带同号电荷的两无限大平行平板间的有效相互作用，以及用Derjaguin近似研究了边界对带电胶体球的影响.不考虑微离子相互作用时，两带电平板只有排斥作用，而且边界条件(面电荷密度)的改变对它们之间的有效相互作用影响不大.带电平板与带电胶体球之间的相互作用也有类似规律. 关键词： Poisson-Boltzmann方程 Derjaguin近似 双电层 渗透压     

Brownian dynamics simulation of two confined colloidal particles

The dynamics of two confined colloidal particles is studied by means of Brownian dynamics simulation. The autocorrelation function and cross-correlation function of the two colloidal spheres are computed by utilizing the formulae of hydrodynamic diffusion matrix expanded to different orders, as well as the accurate tensor through numerical algorithm. Furthermore, the numerical results are compared with the experimental results and the theoretical approximation. It is found that the relatively simple theoretical approximation gives good predictions when two spheres are far away from each other, but fails when the two spheres are very close.