Calculation of electron wave functions and refractive index of Ne

The radial wave functions of inner electron shell and outer electron shell of a Ne atom were obtained by the approximate analytical method and tested by calculating the ground state energy of the Ne atom. The equivalent volume of electron cloud and the refractive index of Ne were calculated. The calculated refractive index agrees well with the experimental result. Relationship between the refractive index and the wave function of Ne was discovered. Supported by the New Star Program of Beijing Science and Technology, China (Grant No. 952870400), the Beijing Municipal Commission of Education, and the Excellent Young Teachers Program of Ministry of Education, China     

The Osher scheme for non-equilibrium reacting flows

An extension of the Osher upwind scheme to non-equilibrium reacting flows is presented, Owing to the presence of source terms, the Riemann problem is no longer self-similar and therefore its approximate solution becomes tedious. With simplicity in mind, a linearized approach which avoids an iterative solution is used to define the intermediate states and sonic points. The source terms are treated explicitly. Numerical computations are presented to demonstrate the feasibility, efficiency and accuracy of the proposed method. The test problems include a ZND (Zeldovich-Neumann-Doring) detonation problem for which spurious numerical solutions which propagate at mesh speed have been observed on coarse grids. With the present method, a change of limiter causes the solution to change from the physically correct CJ detonation solution to the spurious weak detonation solution.     

Gasdynamic characteristics of toroidal shock and detonation wave converging

Shock wave focusing is a fundamental problem in the shock wave research and the instantaneous impulse of high temperature and pressure generated at the focal points has been applied recently in industrial and medical researches[1]. There are several methods to create shock wave focusing, among which the more commonly-used one is to make a planar shock wave reflect from a concave surface, such as the elliptical or parabolic re- flector. Toroidal shock wave focusing has been proposed and investi…     

聚心火焰在共振腔作用下引发爆轰的数值研究

 基于带化学反应的二维轴对称Euler方程，利用带有Superbee限制函数的波传播算法，对共振腔中的氢气-空气预混气的聚心燃烧进行了数值模拟，讨论了共振腔不同抛物面对起爆的影响。数值结果表明，在开始阶段，燃烧诱导的激波在轴心、火焰和固壁的反射，使火焰失稳，随后共振腔中的抛物壁面上产生一定频率和强度的反射激波，不断穿越火焰，使火焰进一步失稳，加剧了燃烧速度，最终导致爆轰的形成。同时，火焰在与激波的作用过程中，形状扭曲变形，呈封闭端小敞口端大的扁平头部蘑菇云。共振腔抛物面的不同形状引起激波聚焦位置的变化，会影响激波和火焰的相互作用，使起爆提前或推迟，甚至不起爆。     

基于扫描隧道显微镜的原子电子云结构

本文简要介绍了扫描隧道显微镜的基本工作原理，展示了一些扫描样品（石墨和铜）的电子云图，在简要介绍量子力学关于原子电子云结构基本理论的基础上，通过理论上的电子云结构与扫描结果的比较，在一定程度上验证了量子力学关于原子电子云结构理论的正确性．     

HPLC method development and validation of cytotoxic agent phenyl‐heptatriyne in Bidens pilosa with ultrasonic‐assisted cloud point extraction and preconcentration

Extraction and pre‐concentration of a bioactive marker compound, phenyl‐1,3,5‐heptatriyne from Bidens pilosa, prior to HPLC has been demonstrated using both organic and ecofriendly solvents. Non‐ionic surfactants, viz. Triton X‐100, Triton X‐114 and Genapol X‐80, were used for extraction. No back‐extraction or liquid chromatographic steps were required to remove the target phytochemical from the surfactant‐rich extractant phase. The optimized cloud point extraction procedure has been shown to be a potentially useful methodology for the preconcentration of the target analyte, with a preconcentration factor of 4–99. Moreover, the method is simple, sensitive, rapid and consumes lesser solvent than traditional methods. An isocratic chromatographic separation and quantitation was accomplished on a C₁₈ column with acetonitrile–acidified aqueous as mobile phase at a flow rate of 1.0 mL/min, UV detection at 254 nm and specificity with photo diode‐array detector (PDA) and MS. Under the optimum experimental conditions recovery was satisfactory (99.18–100.33%) without interference from the surfactant. The method seems to be reliable with intraday precision and interday precision below 2.0%. Good linearity was obtained in the working range from 7.5 to 30 µg/mL with correlation coefficient >0.99. The limits of detection and quantitation were 1.84 and 6.13 µg/mL, respectively. The method was validated following international guidelines and successfully applied for quantitative assays of cytotoxic compound phenyl‐1,3,5‐heptatriyne in Bidens pilosa. Copyright © 2010 John Wiley & Sons, Ltd.     

Acoustic timescale characterisation of symmetric and asymmetric multidimensional hot spots

In this work, two-dimensional hot spots are modelled by combining a linear temperature gradient with a constant temperature plateau. This approach retains the simplicity of a linear temperature gradient, but captures the effects of a local temperature maximum of finite size. Symmetric and asymmetric plateau regions are modelled using both rectangular and elliptical geometries. A one-step Arrhenius reaction for H₂–air is used to model the reactive mixture. Plateaus with different ratios of excitation to acoustic timescales, spanning two orders of magnitude, are simulated. Even with clear differences in behaviour between one and two dimensions, the a priori prescribed hot spot timescale ratio is shown to characterise the 2-D gasdynamic response. The relationship between one and two dimensions is explored using asymmetric plateau regions. It is shown that 1-D behaviour is recovered over a finite time. Furthermore, the duration of this 1-D behaviour is directly related to the asymmetry of the plateau.     

THE GENERALIZED RIEMANN PROBLEM FOR A SCALAR COMBUSTION MODEL --THE PERTURBATION ON INITIAL BINDING ENERGY

In this paper, we study the generalized Riemann problem for a scalar Chapman-Jouguet combustion model in a neighborhood of the origin on upper half of the （x, t）plane. We focus our attention on the perturbation on initial binding energy. Under the entropy conditions, the solutions are obtained constructively. It shows that the perturbed Riemann solutions possess the structural stability except the case that the corresponding Riemann solutions contain CJDT, for which CJDT may transform into SDT after perturbation on initial binding energy in the neighborhood of the origin.     

The synthesis and self‐assembly of ABA amphiphilic block copolymers containing styrene and oligo(ethylene glycol) methyl ether methacrylate in dilute aqueous solutions: Elevated cloud point temperatures for thermoresponsive micelles

A series of ABA amphiphilic triblock copolymers possessing polystyrene (PS) central hydrophobic blocks, one group with “short” PS blocks (DP = 54–86) and one with “long” PS blocks (DP = 183–204) were synthesized by atom transfer radical polymerization. The outer hydrophilic blocks were various lengths of poly(oligoethylene glycol methyl ether) methacrylate, a comb‐like polymer. The critical aggregation concentrations were recorded for certain block copolymer samples and were found to be in the range circa 10⁻⁹ mol L⁻¹ for short PS blocks and circa 10⁻¹² mol L⁻¹ for long PS blocks. Dilute aqueous solutions were analyzed by transmission electron microscopy (TEM) and demonstrated that the short PS block copolymers formed spherical micelles and the long PS block copolymers formed predominantly spherical micelles with smaller proportions of cylindrical and Y‐branched cylindrical micelles. Dynamic light scattering analysis results agreed with the TEM observations demonstrating variations in micelle size with PS and POEGMA chain length: the hydrodynamic diameters (D_H) of the shorter PS block copolymer micelles increased with increasing POEGMA block lengths while maintaining similar PS micellar core diameters (D_C); in contrast the values of D_H and D_C for the longer PS block copolymer micelles decreased. Surface‐pressure isotherms were recorded for two of the samples and these indicated close packing of a short PS block copolymer at the air–water interface. The aggregate solutions were demonstrated to be stable over a 38‐day period with no change in aggregate size or noticeable precipitation. The cloud point temperatures of certain block copolymer aggregate solutions were measured and found to be in the range 76–93 °C; significantly these were ∼11 °C higher in temperature than those of POEGMA homopolymer samples with similar chain lengths. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 7739–7756, 2008