DFT Study on Some Properties of Polybrominated Phenoxathiin 10-Oxides

With the B3LYP calculation method of density functional theory(DFT)and the 6-31G* basis set,full optimization calculation was made for phenoxathiin10-oxide(PTO)and 135 polybromine phenoxathiin 10-oxides(PBPTOs)with the Gaussian 03 program and molar heat capacity in constant volume(CVθ)value of each molecule in the standard state was obtained.The relation between CVθ and the substitution position and number of bromine atom(NPBS)was studied,and the results indicated good correlation(R2 = 1.000)between CVθ and NPBS of PBPTO compounds.Based on the output file of Gaussian 03 program,molar heat capacity at constant pressure(Cp,m)of PBPTO compounds from 200 to 1,000 K was calculated with the statistical thermodynamics program,and the correlation equation between Cp,m and temperature(T,T-1 and T-2)was obtained with the least-squares method,and the correlation coefficient of the correlation equation(R2)was 1.000.In addition,based on the partition function of each molecule calculated by vibration analysis,the relative rate constant of formation of each molecule was calculated.     

数量化理论在金银花产地分类中的应用

采用数量化理论的方法.以金银花中微量元素含量作为变量,进行了产地分类,分析结果表明,金银花按产地可分3类:新密、封丘和平邑为一类;南京为一类;昆明和桂林为一类.结果与生产实际一致.     

妙用“0·x=0”解题

我们知道:不论x取何实数时,都有0·x=0恒成立,所以要使ax=b(x为变量,a,b为常数)对于任意实数x恒成立,必须有a=0,且b=0.在一些定值、定点、轨迹和求值等问题     

DYNAMIC CHARACTERISTICS IN INCOMPRESSIBLE HYPERELASTIC CYLINDRICAL MEMBRANES

In this paper, the dynamic characteristics are examined for a cylindrical membrane composed of a transversely isotropic incompressible hyperelastic material under an applied uniform radial constant pressure at its inner surface. A second-order nonlinear ordinary differential equation that approximately describes the radial oscillation of the inner surface of the membrane with respect to time is obtained. Some interesting conclusions are proposed for different materials, such as the neo-Hookean material, the Mooney-Rivlin material and the Rivlin-Saunders material. Firstly, the bifurcation conditions depending on the material parameters and the pressure loads are determined. Secondly, the conditions of periodic motion are presented in detail for membranes composed of different materials. Meanwhile, numerical simulations are also provided.     

对密立根油滴实验的测量方法改进

利用对密立根油滴实验的改进解出了实验操作过程中的各种问题,提高学生的实验兴趣和理论联系实际的能力.     

DECAY RATE OF SAINT-VENANT END EFFECTS FOR PLANE DEFORMATIONS OF PIEZOELECTRIC-PIEZOMAGNETIC SANDWICH STRUCTURES

This paper is concerned with the decay of Saint-Venant end effects for plane deformations of piezoelectric （PE）-piezomagnetic （PM） sandwich structures, where a PM layer is located between two PE layers with the same material properties or reversely. The end of the sandwich structure is subjected to a set of self-equilibrated magneto-electro-elastic loads. The upper and lower surfaces of the sandwich structure axe mechanically free, electrically open or shorted as well as magnetically open or shorted. Firstly the constitutive equations of PE mate- rials and PM materials for plane strain are given and normalized. Secondly, the simplified state space approach is employed to arrange the constitutive equations into differential equations in a matrix form. Finally, by using the transfer matrix method, the characteristic equations for eigen- values or decay rates axe derived. Based on the obtained characteristic equations, the decay rates for the PE-PM-PE and PM-PE-PM sandwich structures are calculated. The influences of the electromagnetic boundary conditions, material properties of PE layers and volume fraction on the decay rates are discussed in detail.     

论四大滴定理论内容整合与教材改革

提出对四大滴定理论进行整合,统一滴定过程观察量为pM′,删简功能相同或者内容相同的重复概念,围绕滴定反应稳定常数K稳定建立逻辑体系,在数学处理模式上取得一致,从而获得基本理论的统一,同时建议吸收计算机等相关学科的成果来简化并强化分析化学中的计算手段;继承并发展经典的分析化学滴定理论。