纳米TiO2微柱分离富集测定环境样品中的微量碲

以处理过的纳米TiO2为微柱吸附材料,采用流动注射技术进行微量碲的分离富集,探讨了溶液的pH值、试样流速、试样体积、洗脱液浓度和用量以及干扰离子等因素的影响。 实验结果表明,pH值在8～9.5范围内,纳米TiO2对Te(Ⅳ)具有良好的吸附性能,吸附率接近99%,动态饱和吸附容量为37.02 mg/g;选用2 mL 0.5 mol/L NaOH溶液可将吸附的Te(Ⅳ)完全洗脱,富集倍数为30。 本法的检出限(3σ)为0.013 mg/L,相对标准偏差为RSD=1.99%。 将本法应用于水样的分析,碲的回收率在98%~103%之间,结果令人满意。     

Electronic structure and infrared spectrum of a WnC0＇± （n= 1-6） cluster

W_nC^0,± (n=1-6) clusters are investigated by using the density functional theory (DFT) at the B3LYP/LANL2DZ level. We find that the neutral, anionic and cationic ground state structures are similar within the same size, and constituted by substituting a C atom for one W atom in the structures of W_n+1 clusters. The natural bond orbital (NBO) charge analyses indicate that the direction of electron transfer is from the W atom to the 2p orbital of the C atom. In addition, the calculated infrared spectra of the W_nC^0,± (n=2-6) clusters manifest that the vibrational frequencies of neutral, anionic and cationic clusters are similar in a range of 80 cm^-1-864 cm^-1. The high frequency, strong peak modes are found to be an almost stretched deformation of the carbide atom. Finally, the polarizabilities of W_nC^0,± (n=1-6) clusters are also discussed.     

呋喃妥因的太赫兹光谱分析

利用太赫兹时域光谱技术测量了硝基呋喃类药物中呋喃妥因原药在0.2～1.8 THz范围内的吸收系数、折射率等光学指纹特性,结果表明呋喃妥因在该频率范围内出现了多个强度不同的特征吸收峰,吸收系数光谱可用于鉴定呋喃妥因。借助Gaussian软件利用密度泛函理论对呋喃妥因分子在0.2～1.8 THz范围内的吸收系数光谱进行了模拟,并对吸收系数实验光谱中部分吸收峰的振动模式进行了分析和指认。结果表明实验谱中1.25和1.60 THz处的吸收峰与理论谱中1.30和1.67 THz处吸收峰一致,是由呋喃妥因分子内的振动模式引起的。     

各向异性材料动态裂纹扩展特性和动态应力强度因子

基于各向异性材料力学,研究了无限大各向异性材料中Ⅲ型裂纹的动态扩展问题．裂纹尖端的应力和位移被表示为解析函数的形式,解析函数可以表达为幂级数的形式,幂级数的系数由边界条件确定．确定了Ⅲ型裂纹的动态应力强度因子的表达式,得到了裂纹尖端的应力分量、应变分量和位移分量．裂纹扩展特性由裂纹扩展速度M和参数alpha反映,裂纹扩展越快,裂纹尖端的应力分量和位移分量越大;参数alpha对裂纹尖端的应力分量和位移分量有重要影响．     

Twist characteristics of the ultraviolet-written long-period fiber gratings

Twist characteristics of the ultraviolet-written long period fiber gratings (UV-LPFGs) are investigated in this paper. It was found experimentally that the resonance wavelength of the UV-LPFG shifts to short side proportional to square of the torsion rate, when it is twisted in both directions of clockwise and counter-clockwise, which is different from that of LPFGs written by CO_2 lasers, but similar with that of the corrugated LPFGs. The phenomena can be explained by mechanisms of static compression in twisting and index change caused by photo-elastic effect.     

C120O^—和C120O^2—的电子结构的理论研究

用ＩＮＤＯ系列方法对双笼氧化物Ｃ１２０Ｏ的同离子Ｃ１２０Ｏ＾－的电子结构进行了理论研究。结果表明：Ｃ１２０Ｏ＾－和Ｃ１２０Ｏ＾２－中负电荷平均分布在两个碳笼上，而Ｏ的单电子自旋密度几乎为零，离子中两碳笼有较弱的相互作用，Ｃ１２０Ｏ＾２－的基态为三态。     

解耦系统的特征结构配置

本文讨论线性时不变系统分~Ax+Bu,y~Cx,(1)在状态反馈及输人(非异)变换 u一犬x+G下,使闭环系统实现解耦且具有特定的结构配置问题.为此,总假设:系统(1)完全能控,x∈R~n,u∈R~r,y∈R~p,B,C 满秩,r=p.解耦问题早已有了一系列很好的结果.特别地,我们用[6]中的结果表述如下:设系统(1)的传递函数阵为     

适用于有限圆盘电极上的多种电化学技术的动力学方程

本文提出了一个适用于有限圆盘电极上多种电化学技术的一般表达式。在可逆情况下，用该方程数值计算得到的电流值与Ｋ．Ａｏｋｉ报道的结果相符合，在所有时域内，误差小于０．５％。在不可逆情况下，把该表达式用于诸如线性扫描伏安法、阶梯和方波伏安法等具体技术的详细描述将在下文报道。     

ON SINGULAR PERTURBATION FOR A NONLINEAR INITIAL-BOUNDARY VALUE PROBLEM (Ⅱ)

In this paper, we consider a singularly perturbed problem of a kind of quasilinear hyperbolic-parabolic equations, subject to initial-boundary value conditions with moving boundary. When certain assumptions are satisfied and e is sufficiently small, the solution of this problem has a generalized asymptotic expansion (in the Van der Corput sense), which takes the sufficiently smooth solution of the reduced problem as the first term, and is uniformly valid in domain Q where the sufficiently smooth solutioh exists. The layer exists in the neighborhood of t=0. This paper is the development of references.