Nonstationary Simulation Model of Absorber with Falling Film of Suspension

A nonstationary model of SO₂ absorption from a gas phase to a countercurrent falling film of absorbing slurry was developed. Laminar, wavy and turbulent film structures were considered based on published information. Resistances to the mass transfer on the gas and the liquid sides of the interphase were considered, together with chemical reactions in the liquid phase. Relevant chemical equilibria in the liquid phase were modeled. Original experimental data on the neutralization reagent dissolution rate presented as a polydispersed two‐phase system of solids and on the rate of dissolved sulfite oxidation were used. The model was verified with experimental data from a laboratory‐scale falling‐film absorber using a single vertical tube under various geometrical and operating conditions, and a very good agreement was found with the experiment. Parametric sensitivity analysis showed the critical parts of the model.     

合成己二腈反应技术研究——(Ⅴ)己二腈工业反应过程模拟与反应器改造

对己二腈工业反应器提出了两釜串联带回流的模型,通过模拟计算得出模型的级间返混系数 f=6的结论。该模型能较好地预测工业反应器中物料组分浓度变化和气、液两相的流动特性;指出了现工业反应器的鼓泡中和段体积偏小是造成己二酸浓度偏高的关键;提出了可以通过增加串连一个鼓泡预反应段的改造方案,能有效地降低己二酸的浓度,从7%降至4%左右,从而能较好地减缓腐蚀和结焦。     

Structural study of cubic pyrochlores based on quantum mechanical simulation

In the ideal A₂B₂O₆O′ pyrochlore structure, the x-value of O atom position is a variable parameter. In Bi_1.5ZnNb_1.5−xTa_xO₇ (BZNT) cubic pyrochlores, the x-values alter with the different compositions of Nb/Ta. In this work, a series of initial models for BZNT were established by analyzing X-ray diffraction data. Then three structure modifying methods, including Rietveld refinement, Rietveld refinement with energy and geometry optimization based on quantum mechanics, were employed to obtain the precise models using Materials Studio. Moreover, the reflectivities of BZNT were computed by quantum mechanical simulation based on the refined models. Comparing the simulation results from different modifying models with the experimental results, it is found that Rietveld refinement with energy optimization is the most accurate method for BZNT pyrochlores. According to the simulation results, the different reflectivities correspond well with various x-values of O atom positions in BZNT pyrochlores.     

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.     

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.     

岩心PI值试验研究及应用

主要论述了在多功能采油化学用剂评价仪上进行的岩心ＰＩ值试验的步骤，现象及结论。重点考察了岩心ＰＩ值与渗透率、流量及注入截面面积的关系；平行管岩心复合ＰＩ值和其中单管岩心ＰＩ值的关系。     

用数采器对空压机进行状态监测预报

通过几个典型事例的分析、判断和处理，介绍了该厂怎样利用９１ｌ型数采器对２Ｄ１２—１００／８型空压机运行状态进行监测，以预报早期故障，为设备检修提供指导．     

Simulation of Temperature Distribution in Stored Wheat without Aeration

A neural-deterministic simulation model applied for calculating distributions of temperatures and moisture content in a bed of wheat stored in a steel silo without aeration is presented in the article. The model consists of differential equations of heat and moisture transfer, initial and boundary conditions, and three artificial neural networks used during simulated ambient air conditions. Experiments and computer simulations were carried out in order to determine temperature fields in wheat grain stored in a steel silo for two months. The computer simulations were carried using MATLAB and FEMLAB software. The difference between measured and simulated temperature in grain near the silo wall at a height of 2.5 m from the bottom was less than 3.0°C. On the basis of the analysis performed it was concluded that the temperature distributions obtained with the model were consistent with the measured results obtained for grain stored in a steel silo without aeration.