Estimation of parameters where dependent observations are related by equality constraints

Pirt's model for microbial growth and product formation are reparameterized to obtain multiresponse models with common parameters. The dependent variables in the models are related through the available electron and carbon balance constraints. Covariance adjustment is used to reduce the growth model to a unit variate linear model with covariates. Therefore, standard multiple regression programs can be used to obtain combined point and interval estimates of true biomass energetic yield, true product yield and maintenance coefficient. This approach may yield “better” estimates than the maximum likelihood approach when an appropriately selected subset of covariates is used. Nonlinear estimation procedures are also considered; these procedures are efficient with few responses; however, as the number of responses per observation increase, they may require a lot of computing time. For illustration several data from the biochemical engineering literature are analyzed by the proposed methods.     

固体超强酸S_2O_8~(2-)/Fe_2O_3—CoO催化合成乙酸异戊酯

制备固体超强酸催化剂S2O82-/Fe2O3—CoO,并用于乙酸异戊酯合成反应。用该催化剂通过正交试验合成乙酸异戊酯的最佳条件为:醇酸物质的量比为1.5,催化剂用量为0.8 g(以0.2 mol乙酸为准),带水剂用量为10 mL,反应时间为2.5 h,其酯化率可达98%以上。     

Fault identification for process monitoring using kernel principal component analysis

In this research, we develop a new fault identification method for kernel principal component analysis (kernel PCA). Although it has been proved that kernel PCA is superior to linear PCA for fault detection, the fault identification method theoretically derived from the kernel PCA has not been found anywhere. Using the gradient of kernel function, we define two new statistics which represent the contribution of each variable to the monitoring statistics, Hotelling's T²and squared prediction error (SPE) of kernel PCA, respectively. The proposed statistics which have similar concept to contributions in linear PCA are directly derived from the mathematical formulation of kernel PCA and thus they are straightforward to understand. The main contribution of this work is that we firstly suggest a fault identification method especially applicable to process monitoring using kernel PCA. To demonstrate the performance, the proposed method is applied to two simulated processes, one is a simple nonlinear process and the other is a non-isothermal CSTR process. The simulation results show that the proposed method effectively identifies the source of various types of faults.     

熔铸-原位反应法生成α-Al2O3晶须的形貌及结晶方向

利用熔铸－原位反应法制备TiC/Al复合材料时，发现Ti-C-Al反应块表面存在大量的Al2O3晶须，晶须的形貌包括长而直的板状和串珠状，取决于反应进行时铝熔体的温度，当铝熔体温度低于900℃时，形成板状晶须，而当铝熔体温度高于900℃时，形成串珠状的晶须，其原因是由于较高的铝熔体温度加剧了TiC原位反应的放热，热起伏的结果致使部分α－Al2O3晶须异常长大，X射线衍射和透射电镜分析确认晶须为α－Al2O3，其形貌以直板状为主，电子衍射花样斑点显示其结晶方向为[0002]。     

酸、碱性条件下茜素红紫外-可见光谱的量子化学研究

茜素红(ARS)是葸醌类化合物中茜草素型的一种,被广泛应用于电化学、光谱学等领域的研究。在酸性溶液中,茜素红主要在260 nm和422 nm处出现明显的吸收峰,而在碱性溶液中吸收峰移动到272 nm和556 nm。为了分析不同溶液环境对茜素红吸收峰波长的影响,本研究在杂化密度泛函方法B3LYP/6-311+(d)水平上优化了ARS分子在酸、碱性情况时的稳定基态构型,并采用含时密度泛函(time-dependent density functional theory,TD-DFT)方法模拟了ARS分子的电子吸收光谱。计算结果与实验得到的紫外可见吸收光谱相吻合,说明密度泛函理论用来研究茜素红的紫外可见光谱是有效可靠的。通过计算还确定了每个吸收峰对应的各个电子跃迁的贡献率以及Mulliken电荷分布。该理论与实验的结合研究为茜草素型化合物的进一步应用、分子设计、药物构效关系和化学反应规律的研究提供了重要的参考依据。     

1，4-环己烷二甲酸

介绍了1,4-环己烷二甲酸的物化性质、性能特点及应用,并综述了其专利制备技术的研究进展。     

二维多层次的云服务可靠性评估方法研究

针对云服务业务流程管理的特点, 给出了云服务的组合实现框架; 依据随机Petri网的建模理论, 探讨了组合云服务流程网模型的细粒度建模方法; 根据动态多变的用户需求, 设计了二维多层次的云服务组合可靠性动态评估框架, 并给出了马尔可夫过程和等值约简的两种可靠性计算方法。应用示例分析结果表明, 该方法具有较好的动态适应性和灵活性, 能有效满足云服务的可靠性评估需求。     

Statistical properties of interparticle/void distance for amorphous plastics toughening

Statistical properties of interparticle/void distance (ID) for various particle/void and dispersion types are studied in relation with toughening of plastics using computer‐generated three‐dimensional models. Particle/void size groups adopted were either of constant diameter or of log‐normal distribution. Particles/voids were dispersed at uniform‐random or flocculated with multiple clusters. It was found that IDs are (a) of approximately Gaussian distribution for particles/voids of either a constant diameter or a log‐normal distribution, when they are dispersed at uniform‐random, but (b) not of Gaussian distribution for particle/void sizes of bimodal log‐normal distribution, nor for flocculated log‐normal distribution of particles/voids dispersed with multiple clusters. It was also found that the degree of ID uniformity for a single group of log‐normally sized particles/voids is not sensitive to standard deviation of particle/void size. Mixing effect on ID properties using two groups of log‐normally distributed particles/voids with similar mean particle/void diameters was simulated. It was found that, when a significant amount (36 vol %) of particles/voids of a small mean and standard deviation of ID was mixed with a group of particles/voids of a large mean and standard deviation of ID, mean and standard deviation of ID for the mixture were not substantially lower than those of the group of particles/voids of the large mean and standard deviation of ID. It was also found that the degree of ID uniformity for the mixture of the two groups was lower than those of individual groups, indicating that the mixing has deleterious effect on toughening. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 101: 4256–4262, 2006     

分析用水对陶瓷铅溶出量测定的影响

分析用水水质对日用陶瓷铅溶出量测定具有重要影响,CL-、SO42-、CO2等严重抑制铅的溶出,使测定结果偏低。     

利用粉煤灰烧制陶粒的实验研究

利用哈密某电厂粉煤灰为主要原料,根据硅酸盐物理化学原理选择与该粉煤灰适应的各种物相成分,满足SiO2.Al2O3-CaO-Fe2O3等主要成分在高温下形成共熔物,达到利用该电厂粉煤灰烧制粉煤灰陶粒目的的研究,找出烧制粉煤灰陶粒的参数(烧成温度、烧成时间、温度带),各项性能技术指标满足GB2838.81要求的粉煤灰陶粒.并进行中试生产,配制轻质陶粒混凝土,为今后新疆地区粉煤灰陶粒的生产及利用提供实验依据.