Studies on adsorption equilibrium of xylenes in AEL framework using biased GCMC and energy minimization

The adsorption of xylene isomers in AlPO₄-11 (AEL network) was investigated using biased grand canonical Monte Carlo (GCMC) simulations. Preferential o-xylene adsorption was predicted by the simulations, in agreement with previously reported experimental data. In AlPO₄-11 the selective adsorption behavior comes from the smaller length of the o-xylene molecule along the crystallographic c-axis compared to p-xylene. This is in contrast to AlPO₄-5 and AlPO₄-8, where the ortho-selectivity is caused by the characteristic face-to-face positioning of o-xylene. Energy minimization studies were also performed in a flexible AlPO₄-11 lattice to study the structural changes upon xylene adsorption. The energy minimization study showed that the AlPO₄-11 crystal distorts upon p- and o-xylene adsorption. The distortion mechanism is related to the strong interaction between xylene methyl groups and the sieve oxygen atoms in the O3 position in the wide region of the pore.     

异质谷间转移电子器件的计算机模拟

使用弛豫时间近似求出了描述两能谷间电子交换的方程。在此基础上建立了双能谷电子的连续性方程和油松方程。对具体的ＧａＡｓ／ＡｌｘＧａ１－ｘＡｓ异质谷间转移电子器件结构求解了这些方程组，得到了直流工作时器件内的电场分布、双能谷中载流子的布居以及两个能谷的电流分布。这些结果正好和常规Ｇｕｎｎ器件相反，说明了两种器件的不同工作机理。最后通过对低Ａｌ组份势垒结构的计算说明了Ｘ谷电子注入对器件工作的重要作用。     

CNC中插补和轴伺服的微机仿真

本文级出了在ＰＣ机上对一个自己开发ＣＮＣ系统插祉和轴伺服控制进行仿真的结果。它包含按插补原理对直线、圆和渐开线的插补以及对轴伺服控制中的位置环和前馈控制的仿真。轴伺服马达通过一个二阶连续系统模型来仿真，最后得出对伺服进行前馈控制补偿可显著改善系统的输出。     

Numerical study on PEMFC’s geometrical parameters under different humidifying conditions

Steady-state and three-dimensional simulations were carried out to study the influences of geometrical parameters on the performance of PEMFC under different hydrating conditions. Flow fields, species transport, transport of water in polymer membrane and movement of liquid water in cathode and anode porous layers were determined, in order to accomplish a complete estimation of ohmic and concentration losses of PEMFC power. The geometrical parameters were thickness of the polymer membrane, cathode catalyst layer as well as gas channel to rib width ratio. Every simulation was made under different relative humidities of inlet flows (50 and 100%) for every change of characteristic length. Results show that the influence of the geometrical parameters on ohmic and concentration losses is of considerable importance. The performance of PEMFC is seriously affected under dehydrating conditions. However, such performance may be considerably improved by using suitable geometrical parameters. Cathode and anode liquid saturation may not only affect the transport of species, but also the polymer electrolyte water content. These results show the importance of simultaneously calculating both the water absorption and desorption through the polymer electrolyte and the liquid saturation in the cathode and anode porous mediums to obtain an actual view of ohmic and concentration losses of the PEMFC performance.     

非标准工况下空分设备增产氩的研究与实践

文章对非标准工况下的空分设备增产氩措施进行了研究。以宝钢6#60000m3/h空分设备为例,通过设计型算法和校核型算法,建立了空分设备精馏的数学模型,通过改变数学模型的参数,分析了在非标准工况下精馏塔内的组分浓度分布,并提出了优化后的操作方案和操作参数,实施后提高了空分设备的氩提取率,取得了显著的经济效益。     

MHD simulation of high-current subsonic vacuum arc under different distributed axial magnetic fields

Based on two-temperature magnetic hydrodynamic (MHD) model, the influence of saddle-shaped distributed axial magnetic field (AMF, linearly increases along radial position) and bell-shaped distributed AMF (linearly decreases along radial position) on plasma loss and heat flux density to anode in subsonic high-current vacuum arc (HCVA) is simulated and analyzed. According to the simulation results, the saddle-shaped AMF can more effectively inhibit plasma loss from arc column than that of bell-shaped AMF. Comparisons between simulation results and experimental results further verify the correctness of model and simulation.     

液氮制冷低气压试验箱的仿真设计

在采用液氮制冷的低气压试验箱的设计中,用常规工程设计方法计算的降温过程冷负荷过大,从而导致真空系统设计容量过大。本文采用分布参数模型对试验箱低气压条件下降温过程的冷负荷进行了精确仿真模拟,以此作为真空系统容量设计的基础,减小了设计规模,取得了良好的效果。     

Reliability of structures in high dimensions, part I: algorithms and applications

The present paper is concerned with the estimation of structural reliability when a large number of random variables is present. A sampling technique which uses lines in order to probe the failure domain, is presented. The latter is employed in conjunction with a stepwise procedure which makes use of Markov Chains. The resulting algorithm exhibits accelerated convergence.     

深亚微米集成电路的快速时域仿真技术

随着深亚微米集成电路技术的发展，集成电路的规模越来越大，工作频率越来越高，并正朝着系统集成的方向发展，因而在模拟速度，模拟精度和可模拟的电路规模等各个方面对电路仿真技术提出了新的要求。近年来，各种新的电路仿真方法和仿真系统用相继脱颖百出，并将取代那些传统的，已经无法适应深亚微米技术发展的电路仿真器。     

波动方程正演模型及应用

本采用声波方程，通过四阶有限差分近似，实现了复杂地质构造零炮距的数值模拟。中同时展示实际应用效果。