Nitric acid oxidation on carbon dispersion and suspension stability

In this study, we have investigated the effect of nitric acid oxidation on the dispersion and suspension stability of activated carbon powder. We treated activated carbon powder with nitric acid at different concentrations. We measured the content of functional groups, the zeta potential and the powder particle size of the activated carbon powder with the Boehm titration, Fourier transform infrared spectroscopy, a zeta potential analyzer, and scanning electron microscopy. The results show that with the increase of nitric acid molar concentration, the content of acid functional groups increased, whereas the content of alkali functional groups decreased. At a nitric acid concentration of 10 mol/l, the surface‐modified activated carbon powder displays features such as the highest functional group content and zeta potential value, the smallest particle size, and the best dispersion and suspension stability in the solution. Copyright © 2008 John Wiley & Sons, Ltd.     

Mutual solubilities of hydrocarbons and water with the CPA EoS

The knowledge of hydrocarbon/water phase equilibria is important in the design and operation of equipment for petroleum transport and refining and petrochemical plants. The presence of water in a hydrocarbon mixture can affect the product quality and damage the operation equipment due to corrosion and formation of gas hydrates. Tracing the concentration of hydrocarbons in aqueous media is also important for technical purposes like preventing oil spills and for ecological concerns such as predicting the fate of these organic pollutants in the environment.     

AgAlSe2晶体高压相变的第一性原理研究

基于密度泛函理论,采用广义梯度近似法,研究了黄铜矿结构AgAlSe₂在高压下的晶体结构、晶格动力学稳定性与电子结构.结果显示:在0 GPa时AgAlSe₂的晶格参数与实验值吻合,在13.9 GPa附近,质量密度、Se-Ag键长、Se-Al键长、晶格常数a突然增大,相对晶胞体积V/V₀、晶格常数c突然减小,声子谱出现虚频,结构变得不稳定,带隙发生突变,数值呈减小趋势.表明AgAlSe₂晶体在13.9 GPa附近发生结构相变.该研究为AgAlSe₂晶体在理论上所能承受的高压提供信息支撑.     

INVERSE OPALINE STRUCTURE TITANIA PHOTONIC CRYSTALS BY FUNCTIONALLY MODIFIED COLLOIDAL CRYSTALS TEMPLATING

Ordered macroporous titania photonic crystals （PCs） and photonic balls were fabricated by functional modified polymer colloidal crystals. The TiO2 PCs and balls formed through this method exhibit no cracks and lacunae in large areas on their surface and their inner structures.     

M@B<Subscript>9</Subscript> and M@B<Subscript>10</Subscript> molecular wheels containing planar nona- and deca-coordinate heavy group 11, 12, and 13 metals (M=Ag,Au, Cd,Hg, In,Tl)

A density functional and ab initio theory investigation on M@B₉ and M@B₁₀ molecular wheels containing planar nona- and deca-coordinate heavy group 11, 12 and 13 metals (M=Ag, Au, Cd, Hg, In, Ti) has been performed. These unusual clusters all prove to be true minima on the potential energy surfaces of the systems and σ+π double aromatic in nature. The first two vertical one-electron detachment energies of M@B₁₀⁻ (M=Ag, Au) anions and first two ionization potentials of M@B₉ (M=Ag, Au) and M@B₁₀ (M=Cd, Hg) neutrals were calculated to aid future experiments. The cluster complexes designed in this work may expend the domain of planar hyper-coordinate elements to include heavy group 11, 12, and 13 metals and serve as interesting candidates to be targeted in experiments. Electronic Supplementary Material  Supplementary material is available for this article at and is accessible for authorized users. Supported by the National Natural Science Foundation of China (Grant No. 20873117)     

单斜ZnP2负极材料的锂化机理及性能

过渡金属磷化物电位低且比容量高, 是有发展前景的锂离子电池(LIBs)负极材料. 其中, ZnP₂属于双活性负极材料, Zn与P都能与Li⁺发生反应, 储Li⁺性能更具有竞争力. 但是, 对于ZnP₂的锂化机理及产物尚不明确. 采用第一性原理计算和电化学测试方法研究了ZnP₂的电子性质和电化学性能, 通过理论计算和实验测试相结合阐述了ZnP₂的锂化机制. 首先, 以密度泛函理论(DFT)计算揭示了ZnP₂的锂化机理、Li⁺扩散路径、势垒和理论比容量(1477 mAh/g). 其次, 通过直流电弧等离子体法及固相烧结法合成ZnP₂, 并测试其首圈放电曲线, 显示放电容量为1439 mAh/g, 与理论计算结果相近. 此外, 薄膜X射线衍射(XRD)检测最终产物成分为LiZn和Li₃P, 与DFT计算结果一致.     

Persistence and global stability in a delayed Leslie-Gower type three species food chain

Our investigation concerns the three-dimensional delayed continuous time dynamical system which models a predator-prey food chain. This model is based on the Holling-type II and a Leslie-Gower modified functional response. This model can be considered as a first step towards a tritrophic model (of Leslie-Gower and Holling-Tanner type) with inverse trophic relation and time delay. That is when a certain species that is usually eaten can consume immature predators. It is proved that the system is uniformly persistent under some appropriate conditions. By constructing a proper Lyapunov function, we obtain a sufficient condition for global stability of the positive equilibrium.     

Fixed points of smoothing transformation in random environment

At each time n\in \mathbb{N},\mathrm{l}\mathrm{e}\mathrm{t}{\overline{Y}}^{(n)}(\xi )=(y_1^{(n)}(\xi ),y_2^{(n)}(\xi ),\cdots ) be a random sequence of non-negative numbers that are ultimately zero in a random environment\xi \text{=}（{\xi }_n{）}_{n\in \mathbb{N}}. The existence and uniqueness of the nonnegative fixed points of the associated smoothing transformation in random environment are considered. These fixed points are solutions to the distributional equation for a.e.\xi ,Z(\xi )\stackrel{\text{d}}{=}{\sum }_{i\in \mathbb{N}+}{y}_i^{(\mathrm{0})}(\xi )Z_i^{(\mathrm{1})}(\xi ),where ｛Z_i^{(\mathrm{1})}:i\in {\mathbb{N}}_{+}｝ are random variables in random environment which satisfy that for any environment\xi; under P_{\xi }; ｛Z_i^{(\mathrm{1})}:i\in {\mathbb{N}}_{+}｝are independent of each other and {\bar{Y}}^{(\mathrm{0})}(\xi ), and have the same conditional distribution P_{\xi }(Z_i^{(1)}(\xi )\in \cdot )=P_{T\xi }(Z(T\xi )\in \cdot ) where T is the shift operator. This extends the classical results of J. D. Biggins [J. Appl. Probab., 1977, 14: 25-37] to the random environment case. As an application, the martingale convergence of the branching random walk in random environment is given as well.     

集值均衡问题近似Benson真有效解的非线性刻画

在一般的数学模型中,由于要忽略一些次要因素,所建的模型往往是近似的,且对数学模型利用数值算法所求得的解大多是近似解。另一方面,在可行集非紧的情况下,精确解的解集往往是空集,而在较弱的条件下近似解集可以是非空的。在Hausdorff局部凸拓扑线性空间中分别研究了无约束和带约束集值均衡问题近似Benson真有效解。在没有任何凸性假设下,利用非线性泛函分别建立了最优性条件。