Quantitative structure-property relationship study on reductive dehalogenation of selected halogenated aliphatic hydrocarbons in sediment slurries

In this study, by the use of partial least squares (PLS) method and 26 quantum chemical descriptors computed by PM3 Hamiltonian, a quantitative structure-property relationship (QSPR) model was developed for reductive dehalogenation rate constants of 13 halogenated aliphatic compounds in sediment slurry under anaerobic conditions. The model can be used to explain the dehalogenation mechanism. Halogenated aliphatic compounds with great energy of the lowest unoccupied molecular orbital (E-lumo), total energy (TE), electronic energy (EE), the smallest bond order of the carbon-halogen bonds (BO) and the most positive net atomic charges on an atom of the molecule (q(+)) values tend to be reductively dehalogenated slow, whereas halogenated aliphatic compounds with high values of molecular weight (Mw), average molecular polarizability (a) and core-core repulsion energy (CCR) values tend to be reductively dehalogenated fastest. (C) 2001 Published by Elsevier Science Ltd.

QtUCP-A program for determining unit-cell parameters in electron diffraction experiments using double-tilt and rotation-tilt holders

A computer program, QtUCP, has been developed based on several well-established algorithms using GCC 4.0 and Qt (R) 4.0 (Open Source Edition) under Debian GNU/Linux 4.0r0. it can determine the unit-cell parameters from an electron diffraction tilt series obtained from both double-tilt and rotation-tilt holders. In this approach, two or more primitive cells of the reciprocal lattice are determined from experimental data, in the meantime, the measurement errors of the tilt angles are checked and minimized. Subsequently, the derived primitive cells are converted into the reduced form and then transformed into the reduced direct primitive cell. Finally all the patterns are indexed and the least-squares refinement is employed to obtain the optimized results of the lattice parameters. Finally, two examples are given to show the application of the program, one is based on the experiment, the other is from the simulation. (C) 2008 Elsevier B.V. All rights reserved.

Relationship between the electric performance and the photoluminescence spectra of resonant tunnelling diodes

Resonant tunnelling diodes with different structures were grown. Their photoluminescence spectra were investigated. By contrast, the luminescence in the quantum well is separated from that of other epilayers. The result is obtained that the exciton of the luminescence in the quantum well is partly come from the cap layer in the experiment. So the photoluminescence spectrum is closely related to the electron transport in the resonant tunnelling diode structure. This offers a method by which the important performance of resonant tunnelling diode could be forecast by analysing the integrated photoluminescence intensities.

Modes in square resonators

Modes in square resonators are analyzed and classified according to the irreducible representations of the point group C-4v. If the mode numbers p and q that denote the number of wave nodes in the directions of two orthogonal square sides are unequal and have the same even-odd characteristics, the corresponding double modes are accidentally degenerate and can be combined into two new distributions with definite parities relative to the square diagonal mirror planes. The distributions with odd parities belong to the whispering-gallery-like modes in square resonators. The mode frequencies and quality factors are also calculated by the finite-difference time-domain technique and Pade approximation method. The numerically calculated mode frequencies agree with the theoretical ones very well and the whispering-gallery-like modes have quality factors much higher than other modes, including their accidentally degenerate counterparts in square resonators.

Mode coupling between first- and second-order whispering-gallery modes in coupled microdisks

The mode characteristics for two coupled microdisks are investigated by the finite-difference time-domain technique. In the two coupled micodisks, mode coupling between the same order whispering-gallery modes (WGMs) results in coupled WGMs with split mode wavelengths. The numerical results show that the split mode wavelengths of the coupled first- and second-order WGMs can have a crossing point in some cases, which can induce anticrossing mode coupling between them and greatly reduce the mode Q factor of the coupled first-order WGMs. The time variation of mode field pattern shows the transformation between the coupled first- and second-order WGMs. (C) 2007 Optical Society of America

Experimental Investigation on Propane Hydrate Dissociation by High Concentration Methanol and Ethylene Glycol Solution Injection

The dissociation behaviors of propane hydrate by high concentration alcohols inhibitors injection were investigated. Methanol (30.0, 60.1, 80.2, and 99.5 wt %) and ethylene glycol (30.0, 60.1, 69.8, 80.2, and 99.5 wt %) solution were injected, respectively, as alcohols inhibitors in 3.5 L transparent reactor. It is shown that the average dissociation rates of propane hydrate injecting methanol and ethylene glycol solution are 0.02059-0.04535 and 0.0302-0.0606 mol.min(-1).L-1, respectively. The average dissociation rates increase with the mass concentration increase of alcohols solution, and it is the biggest when 99.5 wt % ethylene glycol solution was injected. The presence of alcohols accelerates gas hydrate dissociation and reduces the total need of external energy to dissociate the hydrates. Density differences act as driving force, causing the acceleration effects of ethylene glycol on dissociation behaviors of propane hydrate are better than that of methanol with the same injecting flux and mass concentration.

The design and operation of a new clapboard-type internal circulating fluidized-bed gasifier

The design and operation of a new clapboard-type internal circulating fluidized-bed gasifier is proposed in this article. By arranging the clapboard in the bed, the gasifier is thus divided into two regions, which are characterized by different fluidization velocities. The bed structure is designed so that it can guide the circulating flow passing through the two regions, and therefore the feedstock particles entrained in the flow experience longer residence time. The experimental results based on the present new design, operating in the temperature range of 790 degrees C-850 degrees C, indicate that the gas yield is from 1.6-1.9 Nm(3)/kg feedstock, the gas enthalpies are 5,345 kJ/Nm(3) for wood chip and 4,875 kJ/m(3) for rice husk, and a gasification efficiency up to 75% can be obtained.

面向高速应用的10位2GHz数模转换器

提出了一个刷新率达2GHz的10位电流驱动型数模转换器.在综合了精度与芯片面积等因素之后,该数模转换器使用6+4结构.采用电流型逻辑以提高转换器的速度,并采用Q~2 random walk方法设计了一个双中心对称的电流矩阵,确保数模转换器的线性度.该数模转换器核心版图面积为2.2mm×2.2mm,在3.3V单电压供电的情况下,该芯片功耗为790mW.

高速信号眼图测试中夹具影响的校准

为了在器件的高速信号眼图测试中去除夹具的影响,本文首次提出了一种利用时域和频域测量相结合,通过快速傅立叶变换和反变换,对眼图测试校准的方法,并进行了实验验证.实验发现校准后眼图的张开高度、Q因子、上升时间、下降时间、峰峰抖动等参数改变明显,并且校准后的眼图与直接测试结果符合得很好.