Simulation of nitrogen dynamics and biomass production in winter wheat using the Danish simulation model DAISY

A dynamic simulation model for the soil plant system is described. The model includes a number of main modules, viz., a hydrological model including a submodel for soil water dynamics, a soil temperature model, a soil nitrogen model including a submodel for soil organic matter dynamics, and a crop model including a submodel for nitrogen uptake. The soil part of the model has a one-dimensional vertical structure. The soil profile is divided into layers on the basis of physical and chemical soil characteristics. The simulation model was used to simulate soil nitrogen dynamics and biomass production in winter wheat grown at two locations at various levels of nitrogen fertilization. The simulated results were compared to experimental data including concentration of inorganic nitrogen in soil, crop yield, and nitrogen accumulated in the aboveground part of the crop. Based on this validation it is concluded that the overall performance of the model is satisfactory although some minor adjustments of the model may prove to be necessary.     

水泥色度控制方法

总结了国内某水泥企业多年对水泥色度进行控制的实际经验,参照国外资料,分析、对比了水泥色度的各类影响因素,给出这些影响因素影响程度的相对大小。提出了水泥企业色度控制指标的推荐数值。针对顾客最容易提出的水泥色度问题,从效果评价、可操作性、负面影响、实施的优先程度等方面介绍了水泥色度的控制方法。     

多风道煤粉燃烧器拢焰罩的长度对窑内煤粉燃烧状况影响的研究

本文运用计算流体力学（CFD）技术，以大型流体工程计算软件CFX4．3为工具，模拟研究了喷煤燃烧器的扰焰罩长度对回转窑内煤粉燃烧过程规律的影响，结果表明，一定长度的扰焰罩有利于加强燃烧器出口附近的湍流混合和煤粉燃烧。     

多元复杂精馏过程模拟和优化

采用非平衡级METSH方程组，对丙烯精馏过程进行了模拟计算和优化，提出了一种全新的、实用的塔板组成的圆整归一方法，摸索出了一套行之有效的计算程式，大大提高了模型方程组迭代计算的收敛性，求解更加稳定。本文还以精馏塔利润为目标，建立了优化目标函数，进行了优化计算，计算结果对丙烯塔生产具有一定意义。     

THE “UCKRON-1” TEST PROBLEM FOR REACTION ENGINEERING MODELING

Testing kinetic models against a “true” and detailed kinetic expression was the aim of the Workshop on Kinetic Model Development at the Denver AIChE Meeting in August, 1983. For this purpose an artificial reaction mechanism was created, based on the known thermodynamics of the methanol synthesis as a framework. The kinetic rate laws, that were derived from this mechanism, were made thermodynamically consistent by achieving agreement between equilibrium constants calculated at various temperatures from the given, real original thermodynamic relationship and those calculated from the detailed reversible kinetic expressions.

Using the artificial kinetics as the "true" one, CSTR experiments were simulated. The results of a statistically designed set of experiments were published after 5% random error was added to the data. Participation was invited for all interested to correlate the data, develop kinetic models and to calculate the performance of the specified reactor.

The results of 19 submitted entries are summarized with the conclusion that the models had more differences than were expected, but their predictive values were not as different as was anticipated, if the extreme high production rates due to thermal runaways are not considered. This in turn points out the necessity to check models experimentally, in pilot plant, not only for predicted optimum, but also for calculated runaway conditions. Models which did not capture the true character of this reaction failed to predict the onset of runaway reactions.     

单螺杆挤出过程的数值模拟

以三段七区物理模型为基础，采用面向对象程序设计语言VisualC ，对整个单螺杆挤出过程进行了数值模拟。所得压力。温度等工艺参数的模拟结果与实验值吻合较好，说明采用数学模型的正确性和数值算法的可行性。     

气相色谱-质谱法联用定性2,2-二羟甲基丁醛

应用气-质谱联用法。并结合质谱解析及化学合成，探讨了2，2-二羟甲基丁醛的裂解方式。确定了该物质的质谱谱图。     

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.     

Modeling adsorption and order formation by colloidal particles on a solid surface: A Brownian dynamics study

A three-dimensional simulation model for colloidal dispersion system with an adsorptive surface under a specified bulk concentration was developed basing on the Brownian dynamics technique, and the adsorption process of electrostatically stabilized colloidal particles with radius of 50 nm onto a planar surface with counter charge was simulated. The particle-particle and particle-surface interactions were modeled on the DLVO theory. The adsorbed particles are found to form hexagonally ordered array, only if the surface coverage is above a certain threshold, which varies depending on the ionic strength or the interaction potentials. Through the analysis of the ordered structure, we found that the determinant factor for the order formation is “one-directional average force” acting between adsorbed particles, which exhibits a common value regardless of the ionic strength. Also, looking at the last process for establishing the order, we developed a model that can predict the potential barrier for the order formation. Further, the order formation was proven to be a stochastic phenomenon, and a model to describe the probability against time was developed and its quantitative validity was demonstrated.