COMPUTER SIMULATION OF HYDRODEMETALLATION IN FIXED-BED REACTORS

An isothermal model for hydrodemetallation (HDM) of crude oils in catalytic fixed-bed reactors is proposed. This model involves a consecutive reaction mechanism, which is capable of accounting for particle deposit profiles with interior maxima. Consistent with the fact that HDM catalysts are conglomerates formed by precipitation, the porous catalyst itself is modeled as randomly overlapping spheres of equal size. The metal is deposited as growing metal sulfide crystallites on the inner surface of the catalyst. These crystallites originate from a certain number of randomly scattered nuclei and increase in size as the deposition proceeds. The random sphere model for the catalyst and the deposit provides the changes in the catalyst pore structure—local porosity and surface area.

The mass transport within the domain of the particle is due to restricted liquid diffusion, since the diameter of the metal bearing compound (porphyrin) and the intermediate are comparable to the pore size. The diffusion restrictions taken into account are the enhanced drag imposed on a molecule by adjacent pore walls and steric partitioning.

Since the deposition process is much slower than diffusion and reaction, the pseudo-steady-state assumption can be justified. The equations of conservation for mass are solved by orthogonal collocation on finite elements. Based on this solution technique a computer simulation program of HDM is designed that allows two modes of operation: constant temperature and constant conversion. The simulation program “SIMULA” is highly flexible with regard to reaction kinetics, catalyst structure, reactor design, and operating conditions. In comparison to a base case with uniform activity, the effect of intraparticle (radial) and bed (axial) activity profiles on the conversion rate is discussed. For the case investigated, a radial distribution of activity higher at the center of the particle than at the edge can increase catalyst life by 25%, but axial distribution was less successful.     

SIMULATION AND ESTIMATION OF LONG MEMORY CONTINUOUS TIME MODELS

Abstract. Some general properties of long memory continuous time processes are recalled or proved. Methods of simulation are studied. A comparison with the usual discrete time autoregressive fractionally integrated moving-average filter is made and illustrations are provided. Then, two methods of estimation of the parameters of such a model from a discrete sample are studied, both theoretically and empirically, with Monte Carlo experiments.     

Failure load prediction of structural adhesive joints : Part 2: Experimental study

The objective of this study was to determine how the fracture of adhesive joints depends on elastic beam parameters describing the adherends and the applied loads. The basic specimen geometry was the cracked lap shear joint constructed of aluminium alloy with various adherend and bondline thicknesses. Loads were applied in different combinations of bending, tension and shear to generate a failure envelope for each adhesive and specimen geometry. It was found that crack propagation for precracked specimens occured at a critical strain energy release rate but was also a function of the G_I/G_II ratio and the bondline thickness. The experiments also showed that the loads required to propagate a crack in a precracked specimen were always lower than the loads required to break the fillet. Hence, by treating uncracked joints as being cracked, where the fictitious crack tip is assumed to coincide with the location of the fillet, a conservative estimate of the failure load is obtained.     

真空粉末绝热低温贮罐制造的部分工艺方法

在真空粉末绝热低温贮罐的制造过程中、通过吸附器分子筛的活化、夹层真空系统的处理和充装珠光砂等工艺方法的改进,可较大地缩短产品的制造周期并提高产品的质量。     

射流流化床内流体力学行为的模拟研究

以流化床应用为代表的气固流动系统是许多化工过程中的重要组成部分 ,CFD( computational fluid dynamics)方法能够为其优化设计和放大提供所需要的信息 .本文采用双欧拉模型 ,与 Gidaspow等的实验结果进行了对比 ,模拟了二维射流流化床内气泡的形成规律 ,得到了带锥型分布器的流化床内瞬时空隙率和气固相速度分布等流体力学参数 .对锥型分布器流化床的实验结果表明 ,模拟得到的气泡的形状与实验现象相接近 .     

Modeling of fast pulse responses in the Multitrack: an advanced TAP reactor

A detailed transport model for the Multitrack setup, a TAP-like system, has been developed, which allows further analysis of adsorption, diffusion and catalysis phenomena. This includes the transport in the void part between the pulse valve and the reactor inlet. The effects of viscous flow and thermal transpiration, aspects that have not been studied in detail before for this type of setup, have been analyzed. A new expression for the modeling of the output signal is proposed depending on the positioning of the MS detector used in the study. The transport parameters of the model have been estimated by the analysis of the experimental pulse responses of the empty reactor system and the reactor charged with an inert packed bed. The proposed model reproduces the experimental pulse responses very well, and therefore can be extended to study systems with reacting or adsorbing beds by including the corresponding rate equations for the processes occurring in the bed of particles.     

板壳式换热器设置膨胀节的判定

介绍板壳式换热器的主要特点和应用。当壳体与板束温差较大时,笔者通过对产品开发的生产实践,提出解决板壳式换热器要否设置膨胀节的类似判定方法。     

Important issues in a molecular dynamics simulation for characterising the mechanical properties of carbon nanotubes

This paper discusses several important issues in a molecular dynamics simulation for analysing carbon nanotubes and their mechanical properties. In particular, the paper addresses the problems in selecting appropriate inter-atomic potentials, number of thermostat atoms, thermostat techniques, time and displacement steps and number of relaxation steps to reach the dynamic equilibrium. Based on these, the structural changes of armchair and zigzag nanotubes and their mechanical properties are investigated. The Young's modulus and Poisson's ratio of the armchair tube are 3.96 and 0.15 TPa, respectively, and those of the zigzag tube are 4.88 and 0.19 TPa, respectively. The best simulation technique identified in this study predicts that the ultimate tensile strain of a carbon nanotube is around 40% before atomic bond breakage.     

Interbay物料自动搬运系统性能分析

Interbay物料自动搬运系统的运行效率对于晶圆制造系统影响较大,研究Interbay物料自动搬运系统的绩效具有较大的意义[1]。该文以带有捷径的单闭环背脊式布局的物料自动搬运系统为研究对象,通过问题描述,简化、假设将实际问题抽象为导引运输模型。然后,建立数学模型,采用Dijkstra算法确定工件搬运的最短路径。最后,利用Arena仿真软件建立含有导引运输设备的模型,采用控制变量法探究小车数量小车占用轨道的方式、调度规则等因素对于产出的影响,发现对于本文中的模型,其它条件相同时,搬运系统采用Release-at-end的控制方式,系统最大搬运量越大。