Hydrodynamic and mass transfer characteristics of slug flow in a vertical pipe with and without dispersed small bubbles

In this work, we present a numerical study to investigate the hydrodynamic characteristics of slug flow and the mechanism of slug flow induced CO₂ corrosion with and without dispersed small bubbles. The simulations are performed using the coupled model put forward by the authors in previous paper, which can deal with the multiphase flow with the gas–liquid interfaces of different length scales. A quasi slug flow, where two hypotheses are imposed, is built to approximate real slug flow. In the region ahead of the Taylor bubble and the liquid film region, the presence of dispersed small bubbles has less impacts on velocity field, because there are no non-regular intensive disturbance forces or centrifugal forces breaking the balance of the liquid and the dispersed small bubbles. In the liquid slug region, the strong centrifugal forces generated by the recirculation below the Taylor bubble lead to the effect of heterogeneity, which makes the profile of the radial liquid velocity component sharper with higher volume fraction of dispersed small bubbles. The volume fraction has a maximum value in the range of r/R = 0.5–0.6. Meanwhile, it is usually higher than 0.35, which means that larger dispersed bubbles can be formed by coalescences in this region. These calculated results are in good agreement with experimental results. The wall shear stress and the mass transfer coefficient with dispersed small bubbles are higher than those without dispersed small bubbles due to enhanced fluctuations. For short Taylor bubble length, the average mass transfer coefficient is increased when the gas or liquid superficial velocity is increased. However, there may be an inflection point at low mixture superficial velocities. For the slug with dispersed small bubbles, the product scales still cannot be damaged directly despite higher wall shear stress. In fact, the alternate wall shear stress and the pressure fluctuations perpendicular to the pipe wall with high frequency are the main cause for breaking the product scales.     

地震载荷下岩质边坡动安全系数评价

针对仅以地震波作用中最后时刻或加速度值最大时刻的安全系数作为评价标准的问题,通过强度折减法,借助数值计算获得了地震载荷作用下安全系数的时程曲线。对于使用有限元强度折减法的失效准则,采用三种常用判据相结合的方法来确定安全系数,通过不同模型计算结果的比较,研究了动安全系数与动载荷时程和结构面数量之间的关系。计算结果表明：含结构面的岩质边坡最小安全系数出现时刻较地震波减速度最大值时刻超前,且结构面的存在对于边坡稳定性有着重要影响。最后分析了地震载荷作用下坡高、坡度、结构面倾角对动安全系数的影响,应用极限平衡理论部分验证了数值计算结果,所得安全系数时程曲线可为岩质边坡在地震载荷下的稳定性判断提供参考。     

Vertical distribution of <Superscript>210</Superscript>Pb and <Superscript>226</Superscript>Ra and their activity ratio in marine sediment core of the East Malaysia coastal waters

Marine sediment cores were collected from two stations at East Malaysia coastal waters on June 2004. Activity concentrations of ²¹⁰Pb in sediment core were ranged from 11 Bqkg⁻¹ to 84 Bqkg⁻¹ dry wt. for SR 01 and 4 Bqkg⁻¹ to 66 Bqkg⁻¹ dry wt. for SB 03. Meanwhile, activity concentrations of ²²⁶Ra in sediment core were varied significantly depending on the sampling location of SR 01 and SB 03 with ranged 17–26 Bqkg⁻¹ dry wt. and 8–11 Bqkg⁻¹ dry wt., respectively. The activity ratios of ²¹⁰Pb/²²⁶Ra were no significantly different at all sampling stations with an average of 1.78. Refer to the entire results; the activities of ²¹⁰Pb and ²²⁶Ra were higher at station SR 01 than station SB 03, but contrast with ratio of ²¹⁰Pb/²²⁶Ra. The reasons of different ²¹⁰Pb and ²²⁶Ra activity concentration and distribution of their ratios were strictly related to their half lives, environment origin, potential sources and behavior.     

Six new monoterpenoid indole alkaloids from the aerial part of Gelsemium elegans

Six new monoterpenoid indole alkaloids along with four known analogues were isolated from the aerial part of Gelsemium elegans. Their structures with absolute configurations were elucidated by NMR, HRESIMS, X-ray diffraction, CD spectra, and molecular modeling calculation. Among them, gelselenidine (1) is a new gelsedine-type alkaloid with a 2,3-epoxybutane unit. Gelseziridine (2) is the first example of monoterpenoid indole alkaloids with an oxaziridine residue. Compounds 6 and 7 are a pair of N₄ epimers of humantenine N₄-oxide. A plausible biogenetic pathway for compounds 1-4 was also proposed.     

Constructing a blue light photodetector on inorganic/organic p-n heterojunction nanowire arrays

We described a new structure photodetector, which is constructed by p-n heterojunction nanowire arrays of PANI (polyaniline)/CdS. The nanowire arrays exhibit excellent rectifying features and a diode nature and show a sensitive spectral response to blue light under 420 nm. The rectification ratio plots of different illumination intensities show straight line behavior, implying that the quantitative detection of illumination intensity can be achieved. The p-n heterojunction nanowire array is a great candidate for applications in high-sensitivity and high-speed blue light photodetectors.     

Theoretical study of mechanism of extraction reaction between silylene carbene and its derivatives and ethylene oxide

The mechanism of the oxide extraction reaction between singlet silylene carbene and its derivatives [X₂Si = C: (X = H, F, Cl, CH₃)] and ethylene oxide has been investigated with density functional theory, including geometry optimization and vibrational analysis for the involved stationary points on the potential energy surface. The energies of the different conformations are calculated by B3LYP/6‐311G(d,p) method. From the potential energy profile, it can be predicted that the reaction pathway of this kind consists two steps, the first step is the two reactants firstly form an intermediate (INT) through a barrier‐free exothermic reaction; the second step is the INT then generates a product via a transition state (TS). This kind reaction has similar mechanism, when the silylene carbene and its derivatives [X₂Si = C: (X = H, F, Cl, CH₃)] and ethylene oxide close to each other, the shift of 2p lone electron pair of O in ethylene oxide to the 2p unoccupied orbital of C in X₂Si = C: gives a p → p donor–acceptor bond, thereby leading to the formation of INT. As the p → p donor–acceptor bond continues to strengthen (that is, the C? O bond continues to shorten), the INT generates product (P + C₂H₄) via TS. It is the substituent electronegativity, which mainly affects the extraction reactions. When the substituent electronegativity is greater, the energy barrier is lower, and the reaction rate is greater. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011     

Identification of thioketone analogues of sildenfil using gas chromatography-mass spectrometry

Sildenafil analogues have been found adulterated in herbal preparations and food products that claim to have natural aphrodisiacs. In this study, a gas chromatography-mass spectrometry (GC-MS) assay was developed for the screening and identification of thioketone analogues of sildenafil. Thiopyrazolopyrimidine, a precursor or a cleavage product of thioketone analogue, exhibited characteristic fragment ions of m/z 328 and m/z 299 was found to be the best marker to screen the presence of general thioketone analogues. Identification by GC-MS assay was rapid and specific as all the studied thioketones showed characteristic mass fragmentations including their intact molecular ions. The developed GC-MS assay had successfully identified thiosildenafil, thiohomosildenafil and thiodimethylsildenafil in herbal preparation and food products.     

X-ray photoemission and magnetometric studies of valence changes in Ce(Cu1−xNix)4Ga

The compounds Ce(Cu_1−xNi_x)₄Ga crystallize in the hexagonal CaCu₅-type structure for the whole doping range 0≤x≤1. The border compounds CeCu₄Ga and CeNi₄Ga represent a heavy fermion and fluctuating valence systems, respectively. We report on the studies of the valence evolution in Ce(Cu_1−xNi_x)₄Ga employing the X-ray photoemission spectroscopy (XPS) and magnetic susceptibility measurements. The photoemission of the Ce 3d peaks shows a gradual decrease of the occupation of the f states with Ni content. Simultaneously, the hybridization strength and the low temperature magnetic susceptibility are reduced. Within the valence band spectrum a transition from the dominance of the Cu 3d to the dominance of the Ni 3d states is well visible with the traces of the Ce 4f¹ states for up to x=0.5.     

Return probability for random walks on scale-free complex trees

The time course of random processes usually differs depending on the topology of complex networks which are a substrate for the process. However, as this Letter demonstrates, the first-return as well as the survival probabilities for random walks on the scale-free (SF) trees decay in time according to the same invariant power-law behavior. This means that both quantities are independent of the node power-law degree distributions which are distinguished by different scaling exponents. It is also shown here that the crucial property of the networks, affecting the dynamics of random walks, is their tree-like topology and not SF architecture. All analytical results quantifying these predictions have been verified through extensive computer simulations.     

(H2O)6的稳定结构及异构过程研究

(H₂O)₆是形成三维立体结构的最小水分子团簇并具有能量较低的多个稳定异构体.本文利用从头计算方法研究了各稳定结构的异构化过程.(H₂O)₆的环状结构与最稳定结构的能量差0.31 eV为一个氢键的键能.水分子团簇的异构化是分子间氢键打开或重组的过程,不同异构体之间的转化每次只涉及一个氢键的打开或重组,异构化的能垒高度在0.07—0.21 eV之间. 关键词： 水分子团簇 2O)₆')" href="#">(H₂O)₆ 异构化过程 从头计算