interaction of nitro compounds with radicals: a quantum chemical study

Photoreduction of nitro compounds is accompanied by formation of various radical products that can react with the starting nitro compound, thus causing deviation of the decomposition kinetics from the first-order kinetics with respect to the nitro compound. The results of quantum chemical modeling of the reactions of nitro compounds with radicals and the pathways of further transformations of radical adducts formed in the reactions are presented. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 202–206, February, 2006.     

Parameter identification of thermophilic anaerobic degradation of valerate

The considered mathematical model of the decomposition of valerate presents three unknown kinetic parameters, two unknown stoichiometric coefficients, and three unknown initial concentrations for biomass. Applying a structural identifiability study, we concluded that it is necessary to perform simultaneous batch experiments with differenitial conditions for estimating these parameters. Four simultaneous batch experiments were conducted at 55°C, characterized by four different initial acetate concentrations. Product inhibition of valerate degradation by acetate was considered. Practical identification was done optimizing the sum of the multiple determination coefficients for all measured state viariables and for all experiments simultaneously. The estimated values of kinetic parameters and stoichiometric coefficients were characterized by the parameter correlation matrix, the confidence interval, and the student's t-test at 9% significance level with positive results except for the saturation constant, for which more eperiments for improving its identifiability should be conducted. In this article, we discussekinetic parameter estimation methods.     

住宅能耗自动计费系统的研究

文章对住宅能耗自动计费系统进行了全面地论述,分析了住宅能耗自动计费系统在城市住宅中的重要作用,论述了系统工作的单机、行业系统和网络系统的３种工作模式,指出了系统资源充分利用的途径,并讨论了系统的几种通讯方式问题。     

一种磁滞可调110/220 V自动切换系统

开发了１１０／２２０Ｖ电网自动切换系统,采用设置延迟时间和磁滞回线的方法,有效地防止了启动时误动作,避免在切换点附近频繁切换动作,讨论了延迟时间及磁滞回线回路的计算方法。     

Bio-rational design of photosystem Ⅱ inhibitors (Ⅰ)──Molecular modeling of cyanoacrylates and ureas in photosystem Ⅱ D1 protein of Pisum sativum

Molecular modeling of cyanoacrylates and ureas with D1 protein of Pisum sativum have been presented. Studies show that these two kinds of inhibitors occupy the similar region in the D1 protein. Cyanoacrylates have more binding sites than ureas, thus they have higher activities.     

非线性机电系统数学建模的联结方法

由于传统建模方法缺乏通用性,发展通用建模方法已成为必要．在总结了传统的机电系统数学建模优缺点、引入位移联结、速度联结和加速度联结概念的基础上,提出了适用于非线性机电系统数学建模的通用方法——联结方法．将联结理论从线性系统拓宽于非线性系统,拓展了联结理论．将联结方法与传统的拉格朗日法进行对比,说明了联结方法可避免建模过程中严重偏微分运算的优越性,并从理论上证明了研究结果的可靠性．     

超声心动图象内外膜的自动检测与测量

为定量计算一些重要的心脏功能数据,提高心脏病的诊断水平,研究了超声心动图象内外膜的自动检测与测量技术．首先对超声心动图象进行滤波以消除图象中的噪声,并运用模糊数学理论进行模糊边缘增强,提取超声心动图象的内外膜边缘信息;接着对超声心动图象作二值化处理和椭圆曲线拟合,初步得到心脏的内外膜边缘;再采用相应的三次样条插值和平滑技术,得到光滑、连续的心脏内外膜边缘．在此基础上,再对心脏进行节段划分,并计算有关的心脏功能数据．经实验证实,用此方法可快速得到较准确的结果．     

一种新的故障诊断专家系统

为了在新的环境中建造一个更加有效的故障诊断专家系统,在一般故障诊断专家系统的基础上,根据智能模拟器综合测试的特点和故障诊断要求,提出了一种新的专家系统知识分类和表示的方法．按照这种方法,利用ＨＰＶＥＥ（可视化工程环境）编程语言在Ｗｉｎｄｏｗｓ平台上建造了一个实用系统．该系统的仿真运行得到了很好的结果,故障诊断率达到１００％,诊断速度完全满足系统要求．     

射流携带床气化炉内混合过程的数值模拟

采用ｋ－εＥ模型对射流携带床气化炉内α－萘酚与对氨基苯磺酸重氮盐的偶合竞争串联反应的分隔指数进行了数值模拟,研究了气化炉出口面积,长径比,两股射流动量比对分隔指数的影响。模拟结果表明,ｋ－ε－Ｅ模型由于同时考虑了宏观混合和微观混合的作用,其观测值和实验测试值吻合较好。     

冷带轧机液压厚控系统动态数学模型分析与测试

分析了液压厚度控制系统动态数学模型．并与频率特性测试仪所测结果做了比较．得出了实用的被控对象结构图．为厚度控制系统的设计提供了理论依据．