1-乙基-3-甲基咪唑四氟硼酸盐离子液体结构性质的模拟计算

离子液体以其独特的性质广受关注,被称为"绿色设计者溶剂",人们对其潜在的应用价值做了大量的研究.实验采用HyperChem软件构建了1-乙基-3-甲基咪唑四氟硼酸盐([EMIM][BF4])离子液体分子结构的3D模型,并用PM3法进行预优化,然后应用Gaussian 03w程序分别在RHF/6.31G(d)和BLYP/6-31G(d)计算水平上进行量子化学计算,并经振动频率和强度分析得到理论红外谱图.结果表明,[EMIM][BF4]离子液体的阴阳离子存在着氢键等弱相互作用.     

The reduction/oxidation behaviour of MnAPO-5 as studied by ESR spectroscopy

It is shown by ESR spectroscopy that Mn²⁺ ions in MnAPO-5 are oxidized to Mn³⁺ during calcination atT475 K. Mn²⁺ occupies variously distorted tetrahedral positions within the framework and in extra-lattice sites. Octahedrally coordinated Mn²⁺ presumably located in the channels becomes detectable after adsorption of water. The ESR spectra of reduced MnAPO-5 show line-narrowing due to spin exchange interactions. The material behaves reversible in redox cycles at temperatures near 500 K.     

京津冀水资源与经济社会协调度分析

为了实现京津冀三地水资源-经济-社会系统协调发展的目的,构建了京津冀水资源-经济-社会系统耦合协调度模型,以2007～2016年为研究时间段,综合运用熵值法、AHP法、耦合度与耦合协调度计算等分析了各子系统和综合系统的发展水平以及系统的协调程度。通过分析,可以得出以下结论:①区域内部存在着分化现象,综合发展水平由高到低依次为北京、天津、河北;河北水资源相对丰富而经济社会相对落后,天津的水资源水平发展最慢。②三地耦合度均高于耦合协调度,整体而言,水资源-经济-社会系统水平朝向愈加协调的方向发展,2016年天津、河北达到了高水平-高度协调状态,北京达到了高水平-极度协调状态。基于上述分析结果,从各子系统的发展角度提出了相应的对策及建议,以期促进京津冀三地的水资源-经济-社会系统的协调发展。     

考虑公平关切的服务供应链协调契约

针对服务集成商公平关切行为, 建立了服务提供商和服务集成商的博弈模型, 分析论证了批发价契约无法实现服务供应链协调的问题, 探讨了“成本共担+收入共享” 组合式契约协调的有效性. 研究结果表明, 成本共担契约和收入共享契约都无法实现服务供应链的协调, 而组合式契约不仅能有效协调服务供应链, 且协调具有一定柔性, 但随着服务集成商公平关切程度的增加, 服务提供商与服务集成商的协调空间变小, 协调柔性减弱, 且对服务提供商更不利.     

基于关键资源优先的三级装卸搬运分时协调策略

研究基于关键资源优先的单元化“装卸、搬运、装卸” 三级作业链的调度问题. 在已知关键资源调度方案的条件下, 将两个非关键各作业级的调度问题分别转化为最小单位流问题, 并建立相应的0/1 整数规划模型求解. 为求解大规模问题, 提出三级装卸搬运的分时协调策略. 参照宁波港码头数据, 设计面向集装箱码头的仿真算例, 实验结果验证了所提出模型和策略的有效性.

     

分段式优化数解法智能交通绿波带算法

在传统数解法交通绿波带算法的基础上,根据道路情况实行分段,对传统数解法模型进行了优化。优化后的绿波带协调算法运算量得到较大减少,以便其利用EXCEL表即可得到较为准确的交通绿波带控制参数,以适合手持嵌入式设备的处理,并在感知车流的基础上对实时绿波带控制进行了一定的探索。     

DrawBot: a bio-inspired robotic portraitist

Abstract

We are developing the control architecture of a portraitist artificial agent called DrawBot that reproduces the visuomotor behaviour of a human carrying out a realistic portrait. The visuomotor strategy adopted by DrawBot is based on computational models of eye movements in human beings,and one xperimental findings on eye-hand coordination in expert draughtsmen. In this paper we present a behavioural model of the visuomotor coordination adopted by a draughtsman, designed in terms of visual routines.Eventually we outline the implementation of the basic routines.     

Water quality in the southern Tibetan Plateau: chemical evaluation of the Yarlung Tsangpo (Brahmaputra)

Yarlung Tsangpo (Brahmaputra) is the largest river system draining the northern slopes of the Himalayan ranges on the southern Tibetan Plateau. It remains one of only two large non‐regulated rivers in China. In this paper the chemical composition of Yarlung Tsangpo and its major tributaries (Raga Tsangpo, Nyangchu and Lhasa River) are studied. Water samples (n = 55) were collected and measured for major ions, trace elements and nutrients in order to: (1) define the present chemical quality of this water course; (2) address possible mechanisms governing the water chemical compositions, and (3) identify potential sources for contaminants. Multivariable analysis shows that geology and climate are the major explanatory variables for the spatial variation in water chemistry in this river system. In general, water chemistry is mainly controlled by carbonate weathering, with Ca²⁺ and HCO being the dominant ions. In addition, runoff from brackish/saline lakes and geothermal waters, enriched in Na⁺, Cl^?, SO, Mg²⁺ and Li, are major contributors of elevated concentrations of these solutes in the headwater regions resulting in a relatively high loading of total dissolved solids (TDS, 146–397 mg L^?1). Levels of most heavy metals and total dissolved nutrients were generally found to be low. However, elevated As concentration (avg. 95 μg L^?1) in the headwaters and additions from untreated wastewater were evident at some locations. Copyright © 2009 John Wiley & Sons, Ltd.     

水资源复合系统协调性指标体系构建与调控措施研究

根据复合系统协调性理论,通过分析水资源复合系统内水资源子系统、社会经济子系统和生态环境子系统两两之间的相互作用关系,以全新的视角构建了水资源复合系统协调性评价指标体系,并针对指标反映的系统特征和系统间关系相应地提出了子系统之间协调性调控措施。     

区域水资源生态经济系统耦合关系分析

以复杂系统科学理论和生态经济学原理为指导,论述了水资源生态经济系统的层次关联模式及动态反馈关系,分析了系统耦合关系的实质和特征.在此基础上,研究了各子系统之间关系的规律性及生态环境问题发生的机制,以求为水资源生态经济系统关系的评价与调控提供理论基础.