Monte Carlo simulation of gas phase polymerization of 1,3‐butadiene. Part II: Kinetics optimization and confirmation

Studies on the deactivations and initiations of gas phase polymerizations of 1,3‐butadiene have been achieved by Monte Carlo simulation. Initiation and deactivation control the reaction before and after the peak of the polymerization rate, respectively. The influence of polymerization temperature has been studied. Monte Carlo modeling of polymerization kinetics and mechanism was confirmed by the agreement of experimental data and simulation results of polymerizations run with a temporary evacuation of monomer. The balance of catalysts and active chains is established by both initiation and chain transfer reactions with cocatalyst, which causes a ‘pseudo‐stability’ stage. © 2003 Society of Chemical Industry     

L－B膜修饰电极循环伏安行为模拟──（Ⅰ）电荷转移速度常数对循环伏安性能的影响

本文用计算机数字模拟方法研究了电活性分子多层Ｚ型Ｌ－Ｂ膜修饰电极的循环伏安行为。计算了电极与修饰Ｌ－Ｂ膜分子第一层之间的电荷转移速度常数Ｋ_ｏ，Ｌ－Ｂ膜分子层间的电荷转移速度常数ｋ_ｉ；对峰电位差△Ｅ_ｐ及阳极峰面积Ｑ的影响，以及在不同条件下各层分子的氧化态分数随扫描时间的变化。为研究和设计电活性分子修饰电极的实际体系提供了大量数据和信息。     

Numerical simulation of typical contact situations of brake friction materials

In the paper, a model typical for contact situations of automotive brakes is established based on the method of movable cellular automata. The processes taking place at local contacts in an automotive brake system are analysed. Based on microscopic and micro-analytical observations, the following contact situations were simulated: (i) a couple of ferritic steel against pearlitic steel, both covered by an oxide layer mixed with graphite nanoparticles and (ii) the same situation but without oxide layers. The results of calculated mean coefficients of friction of the oxide-on-oxide contact correspond well to expected values for a real braking system, whereas steel-on-steel contact are twice as high. This allows one to make some conclusions; for example, oxide formation will take place more quickly than friction layer elimination, and finally this is responsible for the stabilisation of the coefficient of friction.     

Simulation of Strength Distribution in Ground Ceramics by Incorporating Residual Stress Effect

Strength of ground ceramics may be affected by residual stress as well as surface flaws induced by grinding. Strength prediction for ground ceramics is convenient for mechanical design of ceramic components. In this article, a numerical procedure based on fracture mechanics was proposed to estimate strength distribution of ground ceramics by considering grinding-induced residual stress. Bending strength and residual stress of ground ceramics were measured for three grinding-conditions. By comparison of simulated results with experimental ones, it was revealed that strength characteristics in experiments were well simulated by using the proposed procedure.     

环境敏感因素对电站正常蓄水位选择的影响

卜寺沟水电站预可阶段正常蓄水位是考虑规划成果、地形、地质务件、梯级衔接、水库淹没、筑坝技术、水能资源利用等因素综合初选的.从理论角度分析,水库淹没时水库内寺庙的影响,按全部淹没进行经济补偿处理代价较小;其社会环境敏感因素对正常蓄水位的选择不应起决定性作用.但是,考虑到少数民族群众、僧侣和地方政府的要求,适当降低正常蓄水位,以减少对扎西日岗寺庙的影响,将带来较积极的社会影响.     

Analysis of the Datagram Congestion Control Protocol’s connection management procedures using the sweep-line method

State space explosion is a key problem in the analysis of finite state systems. The sweep-line method is a state exploration method which uses a notion of progress to allow states to be deleted from memory when they are no longer required. This reduces the peak number of states that need to be stored, while still exploring the full state space. The technique shows promise but has never achieved reductions greater than about a factor of 10 in the number of states stored in memory for industrially relevant examples. This paper discusses sweep-line analysis of the connection management procedures of a new Internet standard, the Datagram Congestion Control Protocol (DCCP). As the intuitive approaches to sweep-line analysis are not effective, we introduce new variables to track progress. This creates further state explosion. However, when used with the sweep-line, the peak number of states is reduced by over two orders of magnitude compared with the original. Importantly, this allows DCCP to be analysed for larger parameter values. Somsak Vanit-Anunchai was partially supported by an Australian Research Council Discovery Grant (DP0559927) and Suranaree University of Technology. Guy Edward Gallasch was supported by an Australian Research Council Discovery Grant (DP0559927).     

The Difference in Turbulent Diffusion between the Active and Passive Scalars in a Thermally Stably Stratified Medium

The difference in the turbulent diffusion between the active (heat) and passive (mass) scalars in a thermally stably stratified medium is investigated. The axisymmetric problem is treated on the formation of a turbulent circulation flow above a heated disk and on the turbulent diffusion of a passive scalar (impurity) from a continuous surface source in a stably stratified medium. The results indicate that the thermal stratification causes appreciable differences in the coefficients of turbulent transfer between the active (heat) and passive (mass) scalars. This means that the assumption of the identity of the coefficient of turbulent diffusion of heat and mass, employed in conventional models of turbulence, produces significant errors in estimating the heat and mass transfer in a thermally stably stratified medium.     

Numerical solution for shape optimization of an impactor penetrating into a semi-infinite target

The shape of the impactor with the maximum depth of penetration (DOP) for a given impact velocity is found using a numerical procedure for solving a corresponding non-classical variational problem. It is shown that the optimum shape in a general case is close to a blunt cone. The variation of the optimal shape of the impactor and the dependence of the DOP vs. the initial (impact) velocity and friction coefficient is studied. The analysis is performed also for optimal conical impactors.     

JETS,PLUMES AND BUOYANT JETS IN STATIC ENVIRONMENT

Turbulence represents an essential aspect in atmospheric and oceanic circulations.In particu-lar,it is a preponderant factor in the dispersion of pollutants of artificial or natural origin.Thevertical turbulent jets,plumes and buoyant jets discharging into static environment is one of themost important and basic flow patterns related with the environment pollution.These flows havenumerous important applications,for example,thrust augmentors,waste disposal plumes fromstacks and combustion systems,and significant problems of turbulent diffusion.