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991.
A density functional theory is proposed for an inhomogeneous hard-core Yukawa (HCY) fluid based on Rosenfeld's perturbative method. The excess Helmholtz energy functional is derived from a modified fundamental measure theory for the hard-core repulsion and a quadratic functional Taylor expansion for the long-ranged attractive or repulsive interactions. To test the established theory, grand canonical ensemble Monte Carlo simulations are carried out to simulate the density profiles of attractive and repulsive HCY fluid near a wall. Comparison with the results from the Monte Carlo simulations shows that the present density functional theory gives accurate density profiles for both attractive and repulsive HCY fluid near a wall. Both the present theory and simulations suggest that there is depletion for attractive HCY fluid at low temperature, but no depletion is found for repulsive HCY fluid. The calculated results indicate that the present density functional theory is better than those of the modified version of the Lovett-Mou-Buff-Wertheim and other density functional theories. The present theory is simple in form and computationally efficient. It predicts accurate radial distribution functions of both attractive and repulsive HCY fluid except for the repulsive case at high density, where the theory overestimates the radial distribution function in the vicinity of contact. 相似文献
992.
用峰鉴别技术反相高效液相色谱法测定火锅汤料中微量吗啡 总被引:3,自引:0,他引:3
本文报道了以峰鉴别技术为定性依据的测定火锅汤料中微量吗啡的反相高效液相色谱法。本法采用改良的Stas-otto法分离提取复杂样品中的微量吗啡。由于采用峰鉴别技术,增加了定性参数,大大提高了定性方法的准确性。本法简便、快速。最低检出浓度为0.04mg/L。在数十例样品分析中,与其它仪器分析结果比照,非常符合。 相似文献
993.
硝酸镧与冠醚(2, 2)配合物的晶体及电子结构研究 总被引:1,自引:0,他引:1
用X-射线单晶衍射法测定了硝酸镧与冠醚(2,2)配合物的晶体结构,发现其具有与报道的Eu(NO_3)_3(2,2)配合物不同的配位方式.晶体属于三斜晶系,空间群P(?),晶胞参数为a=10.312(2)(?);b=12.745(3)(?);c=8.917(2)(?);α=103.79(2)°;β=112.73(2)°;γ=83.68(2)°;V=1049.5(5)(?)~3;F(000)=587.88;Z=2.结构用重原子法解出;R值为0.0292.用INDO法计算了配合物的净电荷分布,电子结构、键级.结果表明,镧与配位原子间的键具有一定程度的共价性.镧的5d轨道对共价性的贡献最大,而4f轨道基本上不参与成键.La-N比La-O(醚)间存在较强的作用,增大了配合物的稳定性. 相似文献
994.
Semiconductor quantum dots (QD) are nanometer-sized crystals with unique photochemical and photophysical properties that are not available from either isolated molecules or bulk solids. In comparison with organic dyes and fluorescent proteins, QD are emerging as a new class of fluorescent labels with improved brightness, resistance against photobleaching and multicolor fluorescence emission. These properties could improve the sensitivity of biological detection and imaging by at least 10- to 100-fold. Further development in high-quality near-infrared-emitting QD should allow ultrasensitive and multicolor imaging of molecular targets in deep tissue and living animals. Here, we discuss recent developments in QD synthesis and bioconjugation, applications in molecular and cellular imaging as well as promising directions for future research. 相似文献
995.
Oxide ceramic masses react to simple shearing with hardening (peptisation: increase in the shear stress with the shear deformation).
In the present study the correlation between the increase in the shear stress and the porosity, agglomeration processes and
the type of flow are analysed. For this purpose oxide ceramic masses are tested in a shear device especially developed for
pastes and analysed by rheometric experiments, NMR methods and particle size analysis. The results support the hypothesis
that structural changes (hardening, increase in the mean porosity) of the material during the peptisation mainly depend on
the magnitude and not on the kind of the energy input and thus of the type of flow. The fraction of bound (more generally,
the immobilised) water increases with the shear displacement. Also crushing of primary particles could be observed. Both the
crushing of solid particles causing an increased solid surface and the formation of a three-dimensional gel structure are
microscopic effects capable of resulting in the binding or retaining water. On a macroscopic scale these phenomena cause hardening.
Magnetic resonance imaging visualises flow-induced agglomerates, which form owing to the shear flow and increase the porosity
averaged over the whole sample. After the shear experiment rolls of paste can be seen which indicate that the general assumption
of a plane shear flow in the shear device is not warrantable.
Received: 19 July 2001 Accepted: 25 October 2001 相似文献
996.
本文采用GF-AAS加平台技术,基体改进剂,测定了中药片仔癀,六味地黄丸中铬、铅和镉的含量,铬、铅和镉的线性范围分别为0-0.8ng/mL,0-50ng/mL,0-5ng/mL,回收率分别为102-103%,99-101%,97.5-98%,本方法简便快速、准确。 相似文献
997.
Equations between the differential order and the maximum of the fractional-order differential for the specified peak signals are developed based on the variation of the maximum of the specified peak signals at different orders. Also, equations between the differential order and the zero-crossing of the fractional-order differential of the specified peak signals are proposed according to the variation of the zero-crossing of the specified peak signals at different orders. Characteristic paramters of the Gaus- sian peak, Lorentzian peak, and Tsallis peak can be estimated using estimator I and estimator II which are obtained by the equations above. As a result, a new method is presented to resolve the overlapped peaks signal. Firstly, a fractional-order differential of the specified peak signals is obtained with the fractional-order differentiation filter. Then, characteristic paramters of the specified peak signals can be extracted using estimator I and estimator II. Finally, the Tsallis peak is used as a model to assign the overlapping peak signals correctly. Experimental results show that the proposed method is efficient and effective for the simulated overlapping peaks and detected overlapping voltammetric peak signals. 相似文献
998.
To obtain new materials with synergetic or complementary behaviors, polyaniline composite filled with ZnO rods in ramification-like
structure was prepared by a hydrothermal approach. Comparative experiments of ZnO preparation in the presence of some metal
ions were also carried out. The results indicated that the morphology of ZnO was strongly affected by the preparation condition.
The method to grow ZnO rods in the presence of polyaniline offers a simple approach to obtain polyaniline composite filled
with linear ZnO structure. The results of X-ray photoelectron spectroscopy show that the strong interaction between ZnO and
polyaniline possibly exists to cause the charge transfer. 相似文献
999.
Kayed A. Abu Safieh Ahmad M. Abu Mahthieh Mustafa M. El-Abadelah Mikdad T. Ayoub Wolfgang Voelter 《Monatshefte für Chemie / Chemical Monthly》2007,138(2):157-160
Summary. A novel method for the synthesis of a new series of 5-substituted 1,3-dimethyl pyrazolo[4,3-e][1,2,4]triazines is described. The new synthetic strategy is based on the classical Bischler 1,2,4-benzotriazine synthesis. This approach involves the preparation of 5-hydrazinopyrazole from 5-chloro-1,3-dimethyl-4-nitropyrazole
followed by acylation and nitro group reduction to form the corresponding 4-amino-3-(acylhydrazino)pyrazoles. Intramolecular
oxidative cyclization of the latter derivatives, using polyphosphoric acid, produced the respective target pyrazolotriazines. 相似文献
1000.
Xiaohua Zou Song Zhang Mianhong Shi Jilie Kong 《Journal of Solid State Electrochemistry》2007,11(2):317-322
A stepwise deposition method was employed to create ordered polyaniline (PANI) nanowires with remarkably enhanced capacitance. Cyclic voltammetry, AC impedance, and galvanostatic charge/discharge cycling were employed to investigate the electrochemical performance of the PANI electrodes. The PANI-deposited electrode exhibits much higher capacitance than those prepared by one-step deposition method, which were mainly contributed from the unique nano structure of PANI and the increased biological, economical, and technical surface areas. The superior capacitive behaviors of the nano PANI electrodes show great potential in preparation of high efficient electrochemical capacitors or rechargeable batteries. 相似文献