Application of the general rate model with the Maxwell-Stefan equations for the prediction of the band profiles of the 1-indanol enantiomers

The adsorption isotherm data of R- and S-1-indanol and of their racemic mixture on cellulose tribenzoate were measured by frontal analysis. These experimental data were fitted to the single-component and the modified competitive Bilangmuir isotherms. The overloaded elution profiles of bands of the pure enantiomers and of the racemic mixture were calculated for different sample sizes, using the best competitive isotherm model and the General Rate Model of chromatography coupled with the generalized Maxwell-Stefan equation that describes the surface diffusion flux. The calculated and the experimental profiles were found to be in excellent agreement in all cases. The parameters of the model of the mass transfer kinetics were derived from the band profiles obtained for the pure enantiomers. The same values of these parameters give an excellent prediction of the profiles of multicomponent bands. The new model described here allows a satisfactory interpretation of the competitive mass transfer kinetics.     

Modelling a circulating fluidized bed riser reactor with gas—solids downflow at the wall

A predictive model was developed for the fully developed zone of a circulating fluidized bed (CFB) riser reactor operating in the fast fluidization regime that overcomes limitations of existing models. The model accounts for the upward flow of gas and solids in the core and downward flow of the two phases in the annulus. Additionally, a numerical solution methodology for the simulation of a riser reactor employing the hydrodynamic model was devised. A simulation was performed using the fast, main Claus reaction to demonstrate the effects of backmixing in the fast fluidization regime. It was found that the molar flow rates of the reactants leaving a fast fluidized CFB riser reactor were significantly higher than those leaving an identical reactor operating in the pneumatic transport regime.     

对化工企业质量文化建设的思考

就贵州省化工企业加强质量文化建设必要性和紧迫性作用思考,通过对质量文化内涵的分析,提出我省化工企业应走“质量效益型”的道路,并指出实践中应注意的问题。     

熔渣的化学统计热力学模型的应用

本文介绍了基于化学统计热力学的熔渣模型，模型考虑到多元氧化物熔体由氧离子与其周围的阳离子组成的“晶胞”构成，并通过化学统计效力学的推导，利用少量的二元氧化物系热力学参数计算复杂的三元及多元氧化物系的热力学性质．利用此模型，计算了钢中生成的氧化物夹杂的成分，计算与实验结果一致．     

Multi-dimensional transient mathematical simulator of blast furnace process based on multi-fluid and kinetic theories

The ironmaking blast furnace is regarded as one of the biggest and most complex industrial reactors, because it includes various materials like gas, lump granular materials, liquids and powders and more than 30 major reactions and phase changes in a single reaction vessel. The mathematical simulator of this process developed in this study used the multi-fluid treatment as its framework, since the motions of these materials were governed by different flow mechanisms. The rates of the interactions among the phases and the chemical reactions were evaluated based on kinetic theories. The model successfully reproduced the fields of velocity, temperature and reaction in the furnace and its validity was confirmed. The simulator was also applied to a novel operation, namely the top gas recycling combined with the carbon-composite iron-ore charging and the waste plastics injection, and the advantages in furnace efficiency and environmental load were quantitatively indicated.     

PH敏感性水凝胶的分子热力学模型

本工作是在非离子凝胶的分子热力学模型基础，引入Ｄｏｎｎａｎ平衡项和大分子离子链的静电排斥项对凝胶自由能的贡献，建立了一个新的离子凝胶的分子热力学模型。该模型在解释离子凝胶的ＰＨ敏感性及其各种影响因素，以及预测ＰＨ溶胀曲线方面都取得了较好的效果。     

The effective diffusivities in porous media with and without nonlinear reactions

The question of whether effective diffusivities in porous materials under reactive and nonreactive conditions are equal is addressed. Previous studies had considered the problem with first-order reactions. We study the issue with two nonlinear reactions—a second-order reaction and one governed by the Michaelis-Menten kinetics. Pore network and continuum models of porous media are utilized to estimate the effective diffusivities under reactive and nonreactive conditions. We show that the two effective diffusivities are significantly different. The difference is due to the heterogeneities of the porous material, and the fluctuations that they cause in the spatially varying local concentrations and diffusivities, and can be as large as a few orders of magnitude. Theoretical analysis of diffusion and reactions in porous media is also presented that supports the results of the simulations. In particular, it is shown that the results of pore network simulations cannot be fitted to the classical continuum equation of diffusion and reaction, and that a more complex continuum equation should be used for this purpose.     

（Nb_yTi_（1－y））C_x单晶体制备及其结构研究

用熔剂法制备了（Ｎｂ＿ｙ．Ｔｉ＿（１－ｙ））Ｃ＿ｒ单晶体，用Ｄｅｂｙｅ照相法及四圆衍射仪对其晶体结构进行了研究。实验结果表明，（Ｎｂ＿ｙＴｉ￣（１－ｙ）Ｃ＿ｘ中存在类似于作化学计量化合物ＴｉＣ＿ｘ及ＮｂＣ＿ｘ的有序一无序转变现象，转变温度随其化学成份改变在１１７５～１２８０Ｋ范围内变化。高温型（Ｎｂ＿ｙＴｉ￣（１－ｙ））Ｃ＿ｘ的晶体结构属ＮａＣｌ型结构，碳空位呈随机分布；低温型（Ｎｂ＿ｙＴｉ￣（１－ｙ））Ｃ＿ｘ的晶体中碳空位呈短程有序分布，可用Ｖ＿６Ｃ＿５晶体结构模型进行描述。     

大潮差河口闸下水流的流动特性分析

福建数座河口水闸发生剧烈淘刷,闸上游和下游的最大冲刷深度达到闸室高度的0.5~1.2倍,且屡修屡毁。有的水闸经多次除险加固后,不得不再花巨资重建。通过数学模型和物理模型揭示了河口水闸下游水位因受东海大潮差海潮影响发生剧烈波动时的变化规律,发现了水闸泄流过程中的间歇性淹没及非常工况甚至出现逆流的独特流动现象,给出了典型日孔流及堰流泄流能力动态变化过程线,分析了消能工变化对闸址水流结构的显著影响,并对水闸水毁修复前后闸下冲刷进行了预测。结果表明:水闸修复前闸下涨急最高水位4.53 m,修复后下降0.67 m,水闸修复后逆流现象减弱。修复后首次水跃位置往上游移动了35 m,平均水跃高度下降47.46%,闸后及二级池末端最大流速2.27 m/s和0.08 m/s,较修复前分别下降了40.58%和96.48%。常遇泄流条件下,水闸的淹没度和泄流能力呈现不断变化的动态过程。当西溪水闸62#先启孔全开,上游保持正常高水位3.2 m,下游为最低潮位-0.72 m时,修复后最大冲刷深度减少64.48%,消能防冲效果十分明显。研究成果对河口水闸安全运行具有一定的参考价值。