Nonreactive atom/molecule-surface scattering within the finite basis wave packet method

A quantum wave packet code for studying nonreactive scattering of closed-shell atoms or diatomic molecules from a rigid surface is described. The time evolution relies on the Chebychev propagator. Up to 5 collider degrees of freedom, 3 in translation and 2 in rotation, are treated in a pseudospectral way with the momentum or finite basis representation as the primary space. Potential matrix elements are efficiently evaluated by means of sequential 1D transformations between momentum and coordinate spaces. Fast Fourier transforms are performed for the translational and azimuthal coordinates whereas a Gauss-Legendre transform is used for the polar coordinate. This pseudospectral strategy minimizes memory requirements because no off-diagonal Hamiltonian matrix elements need to be stored. In addition, a wide variety of physical systems can be studied since no particular functional form is imposed for the interaction potential.     

A Topological Implementation for Motion Planning of a Robotic Arm

An efficient path planning algorithm based on topologic method is presented in this paper.The collision free path planning for three-joint robotic arm consists of three parts:partition of C-space,construction of CN and search for a path in CN.We mainly solved the problems of partitioning the C-space and undging the connectivity between connected blocks,etc.For the motion planning of a robotic arm with a gripper,we developed the concepts of global planning and local planning,and discussed the basic factors for constructing the planning system.In the paper,some evaluation and analysis of the complexity and reliability of the algorithm are given,together with some ideas to improve the efficiency and increase the reliability.At last,some experimental results are pesented to show the efficency and accuracy of the algorithm.     

Nitric oxide reduction and carbon monoxide oxidation over carbon-supported copper-chromium catalysts

Carbon supported copper-chromium catalysts are shown to be very active for both the reduction of nitric oxide with carbon monoxide and the oxidation of carbon monoxide with oxygen. Mixed copper-chromium oxide active phases have good activity in the simultaneous removal of nitric oxide and carbon monoxide from exhaust gases. The influence of several catalyst variables has been investigated. The activity per volume of catalyst increases with increasing loading, while the intrinsic activity shows a maximum around C/M=100−50. An optimum catalyst for nitric oxide reduction and carbon monoxide oxidation has a copper/chromium ratio of 2/1. The apparent activation energy for the carbon monoxide oxidation over carbon supported copper-chromium catalysts is 77 kJ/mol, suggesting that the Cu---O bond rupture is the rate-limiting process. The reduction of nitric oxide takes place at higher temperatures. Since all catalysts have a low selectivity for molecular nitrogen formation at lower temperatures, the dissociation of nitric oxide is probably rate determining, resulting in a slightly reduced catalyst system. In an excess of carbon monoxide the reaction is first-order in nitric oxide and zero-order in carbon monoxide. Moisture inhibits the reaction by reversible competitive adsorption, whereas carbon dioxide does not. Oxygen completely inhibits the reduction of nitric oxide due to the more rapid reoxidation of the catalytic sites compared to nitric oxide. Therefore, the reduction of nitric oxide takes place only when all oxygen has been converted and, hence, is shifted to higher temperatures. As a possible consequence, the production of nitrous oxide is reduced. Nitric oxide and molecular oxygen react preferentially with carbon monoxide, so, in an excess of oxidizing component, gasification of the carbon support occurs at higher temperatures after carbon monoxide has been completely consumed.     

醇镁还原法一步制取对氯苯胺的研究

醇镁还原法一步制取对氯苯胺是一种新的方法 ,研究发现最佳反应温度为 80℃～ 85℃ ,反应时间为4h ,对氯硝基苯与镁粉的用量 (物质的量比 )为 1∶3,产率为 80 %。     

三峡水库减淤增容调度方式研究——多汛限水位调度方案

本文建议在汛期中小流量时（Q<35000m3/s），将坝前水位维持在148～151m；出现汛情且流量更较大后，将坝前水位降低到143m；入库流量大于35000m3/s且短期预报将出现大于十年一遇洪水时，预泄洪水到135m.按这一调度，汛期约80％时间可以维持在较高水位，一般洪水期。汛限水位143m不影响坝区通航，135m水位迎洪可大量增加防洪库客。到100年后可减淤30亿m3，增加防洪库容约40亿m3.变动回水区减淤40%，优化了坝区水沙搭配，可改善通航条件。降低库区洪水位，缓解防洪与移民的矛盾。可对发电带来较大好处：提高发电效益，减少粗沙过机。初期水库排沙比大于原方案，可减轻下游冲刷。同时，可减小三峡汛初泄水与鄱阳湖防洪的矛盾。     

蒸汽减压站自控系统的巧设计

蒸汽是石油化工装置中最重要的物料。随着石油化工工业的迅猛发展 ,蒸汽在其中扮演着越来越重要的多重角色。因此 ,对蒸汽系统的平稳控制 ,对石油化工生产装置平稳、高效地运行是至关重要的。传统的蒸汽减压站自控系统基建投资大 ,紧急情况下靠人工手动操作稳定蒸汽压力系统 ,往往造成生产的波动或大面积的停车。针对传统蒸汽减压站自控系统的弱点 ,提出蒸汽减压站自控系统的优化设计方案 ,该方案得以在大型生产装置成功应用。新方案不但节省了大量的基建投资 ,而且取得了良好的生产效益     

挖金湾矿近距离煤层联合布置开采可行性研究

提出挖金湾矿近距离煤层联合布置开采方案，并对开采方案的技术难点进行了分析，找出了解决方法。     

A new iterative order reduction (IOR) method for eigensolutions of large structures

Order reduction is a computationally efficient method to estimate some lowest eigenvalues and the corresponding eigenvectors of large structural systems by reducing the order of the original model to a smaller one. But its accuracy is limited to a small range of frequencies that depends on the selection of the retained degrees of freedom. This paper proposes a new iterative order reduction (IOR) technique to obtain accurately the eigensolutions of large structural systems. The technique retains all the inertia terms associated with the removed degrees of freedom. This hence leads to the reduced mass matrix being in an iterated form and the reduced stiffness matrix constant. From these mass and stiffness matrices, the eigensolutions of the reduced system can be obtained iteratively. On convergence the reduced system reproduces the eigensolutions of the original structure. A proof of the convergence property is also presented. Applications of the method to a practical GARTEUR structure as well as a plate have demonstrated that the proposed method is comparable to the commonly used Subspace Iteration method in terms of numerical accuracy. Moreover, it has been found that the proposed method is computationally more efficient than the Subspace Iteration method. Copyright © 2003 John Wiley & Sons, Ltd.     

Elimination of organic matter present in wastewaters from the cork industry by membrane filtration

BACKGROUND: The first stage of the cork industrial process generates great volumes of wastewater with moderate to high organic pollutant content that must be purified using different procedures, such as filtration by membranes. RESULTS: The tangential filtration of these wastewaters was studied using two different laboratory equipments. In the first one, three ultrafiltration (UF) membranes were tested, with molecular weight cut‐off (MWCO) 100 kDa and 30 kDa, and two operating modes were used: total recycling of permeate and retentate streams, and in continuous mode, without recycling both streams. In the total recycling UF experiments, the influence of the operating variables on the permeate flux was first established. The effectiveness of the different membranes was determined by evaluating the rejection coefficients for several parameters that measure the global pollutant content of the effluent. The values found for these rejection coefficients were in the following order: ellagic acid and color > absorbance at 254 nm > tannic content > COD (chemical oxygen demand). In the continuous mode experiments, the fouling mechanism for each membrane was established by fitting the experimental data to various filtration fouling models given in the literature. The operating mode in the second equipment was batch concentration, and additional experiments were carried out with an UF membrane (2 kDa), and with a NF membrane (with MWCO in the range 150–300 Da). CONCLUSIONS: The three operating modes tested provided different rejection levels of organic matter; among them, the most effective procedure tested was batch concentration mode using a NF membrane. Copyright © 2007 Society of Chemical Industry     

Effect of vibration condition and inter-particle frictions on the packing of uniform spheres

We present a numerical study of the packing of uniform spheres under three-dimensional vibration using the discrete element method (DEM), focusing on the effects of vibration condition (amplitude and frequency) and inter-particle frictions (sliding and rolling frictions). The results are analysed in terms of packing density, coordination number (CN), radial distribution function (RDF) and pore structure. It is shown that increasing either the vibration amplitude or frequency causes packing density to increase initially to a maximum and then decrease. Both vibration frequency and amplitude should be considered to characterize the effect of vibration process on packing structure. The sliding and rolling frictions between particles can decrease packing density since they dissipate energy, although the effect of rolling friction is less significant. In line with the change of packing density, microstructural properties such as CN, RDF and pore distribution also change: a looser packing often corresponds to smaller CN, less peaked RDF and larger but more widely distributed pores.