JACOB: An enterprise framework for computational chemistry

Here, we present just a collection of beans (JACOB): an integrated batch‐based framework designed for the rapid development of computational chemistry applications. The framework expedites developer productivity by handling the generic infrastructure tier, and can be easily extended by user‐specific scientific code. Paradigms from enterprise software engineering were rigorously applied to create a scalable, testable, secure, and robust framework. A centralized web application is used to configure and control the operation of the framework. The application‐programming interface provides a set of generic tools for processing large‐scale noninteractive jobs (e.g., systematic studies), or for coordinating systems integration (e.g., complex workflows). The code for the JACOB framework is open sourced and is available at: www.wallerlab.org/jacob . © 2013 Wiley Periodicals, Inc.     

基于AutoIt3和VBA的FrontPage操作题自动批量批改

基于AutoIt3和VBA为自动批量批改FrontPage操作题设计一种程序框架。首先,依据FrontPage操作技能考核要求对FrontPage操作题各小题划分评分点和对应分值。然后,应用VBA实现单份FrontPage操作题的自动批改程序。最后,应用AutoIt3实现多份FrontPage操作题的自动批量批改程序。     

订货与发货整合批量调度问题

在对文题进行数学描述的基础上，建立求解该类问题的混合整数线性规划模型.证明问题NP 困难性并研究多项式可解子问题，进一步提出了3个启发式算法以及精确求解的分支定界算法.数值实验表明，所提出启发式算法以及分支定界算法的有效性与高效性.     

Anaerobic biological treatment of dye bearing water in anaerobic sequencing batch reactor: Performance and kinetics studies

Textile and dye industries are main sources of dye bearing effluent. In present studies the anaerobic biological degradation of Acid Red 3BN dye water (AR3BNDW) and mixed dye water (MDW) for reduction of color and COD were studied in sequential batch reactor (SBR). The sludge as sources of microorganism was arranged from maize processing bio methanation wastewater treatment plant, which was acclimatized for treatment of AR3BNDW and MDW. After the acclimatization, dyes degradation were studied in SBR At optimum operation condition of hydraulics retention time (HRT) = 2.5 d, and treatment time (t_R) = 16 h, AR3BNDW have gone maximum 87% color reduction of 500 mg/L dye, and 82.8% COD reduction of 380 mg/L COD. At same operating condition, 84.5% color reduction of 500 mg/L dye, and 79.42% COD reduction of 413 mg/L COD achieved for MDW. The second order Grau model was fitted well for COD and dye reductions. The kinetics parameter were evaluated for both the dye water.     

Batch versus Flow Photochemistry: A Revealing Comparison of Yield and Productivity

The use of flow photochemistry and its apparent superiority over batch has been reported by a number of groups in recent years. To rigorously determine whether flow does indeed have an advantage over batch, a broad range of synthetic photochemical transformations were optimized in both reactor modes and their yields and productivities compared. Surprisingly, yields were essentially identical in all comparative cases. Even more revealing was the observation that the productivity of flow reactors varied very little to that of their batch counterparts when the key reaction parameters were matched. Those with a single layer of fluorinated ethylene propylene (FEP) had an average productivity 20 % lower than that of batch, whereas three‐layer reactors were 20 % more productive. Finally, the utility of flow chemistry was demonstrated in the scale‐up of the ring‐opening reaction of a potentially explosive [1.1.1] propellane with butane‐2,3‐dione.     

Kinetics of batch production of single-cell protein from cheese whey

A kinetic model for single-cell protein batch fermentation was developed using the numerical simultaneous integration approach of the fourth-order Runge-Kutta method. The model takes into account the effect of substrate inhibtion, maintenance energy, and cell death on the cell growth and substrate utilization during the fermentation process. The theoretical results obtained from the model compared well with the experimental data. The model was used to study the effect of the initial substrate concentration on the lag period, fermentation time, specific growth rate, population size, and cell productivity of batch fermentation. Increasing the initial substrate concentration increased the lag period and fermentation time and decreased the specific growth rate and cell yield. The growth limiting substrate concentration was 2.9 g/L, whereas the growth inhibiting substrate concentration was 69.0 g/L. Increasing the initial substrate concentration above 150 g/L significantly decreased the yeast population size.     

COD/N对亚硝酸盐型同步硝化反硝化脱氮的影响

采用序批式活性污泥法,对人工配制的城市污水,通过控制泥龄成功实现亚硝酸盐型同步硝化反硝化,并考察了不同COD/N对亚硝酸盐型同步硝化反硝化效果的影响.试验结果显示:适宜的泥龄下,在控制适宜的pH、DO及COD:N为6.5左右的条件下,COD、氨氮和总氮的去除率分别可达90%~95%、99%左右、90%以上.因此,适宜的泥龄时,控制反应器内适宜的COD/N,可以使亚硝酸盐型同步硝化反硝化取得很好的效果.     

IC+SBR处理抗生素废水脱氮效果研究

采用IC+SBR组合工艺处理高浓度抗生素废水,结果表明,抗生素废水进入IC反应器后,得到有效的水解发酵,将有机氮充分转化为氨氮,厌氧出水经过SBR反应器处理后出水氨氮质量浓度降低到30 mg/L,有时甚至在20 mg/L以下,去除率高达80%,出水水质良好.     

太原第一热电厂入炉煤分炉计量系统的改进

阐述了对太原第一热电厂原分炉计量系统改造的必要性和可行性,分析了原分炉计量系统产生误差的原因,介绍了改进原分炉计量系统的工作原理、技术方案和运行状况。     

批处理在高校计算机实验室管理中的应用

高校计算机实验室是教学、科研的重要基地,是培养学生创新精神和实践能力的重要实践场所。根据高校计算机实验室管理情况,探讨利用批处理命令对计算机实验室进行维护的方法。用实例的方法介绍了利用批处理文件配置计算机名、IP地址、环境变量等日常管理,使计算机实验室管理更加规范、高效。