Surface of room temperature ionic liquid [bmim][PF6] studied by polarization- and experimental configuration-dependent sum frequency generation vibrational spectroscopy

Understanding and control of the surface properties such as molecular orientations are of great importance in numerous applications of ionic liquids. However, there remain discrepancies among the previous experimental and theoretical studies on the surface orientation and structures of room temperature ionic liquids(RTIL) systems. In this article, the orientation of 1-butyl-3-methylimidazolium([bmin]) cation at the air/liquid interface of a characteristic RTIL, 1-butyl-3-methylimidazolium hexafluorophosphate([bmim][PF6]), was investigated by the sum frequency generation vibrational spectroscopy(SFG-VS). Detailed polarization and experimental configuration analyses of the SFG-VS spectra showed the possibility of a small spectral splitting in the CH3 symmetric stretching region, which can be further attributed to the probable existence of multiple orientations for the interfacial [bmim] cations. In addition, the(N)–CH3 vibrations were absent, ruling out the prediction by several recent molecular dynamics simulations which state that portions of the [bmim] cations orient with a standing-up(N)–CH3 group at the ionic liquid surface. Hence, new realistic theoretical models have to be developed to reflect the complex nature of the ionic liquid surface.     

2005～2017年快速城市化背景下洱海流域不透水表面时空格局分析

近年来随着我国经济建设的不断加快以及城市化的快速发展,工业和人口的大规模聚集造成了不透水表面的快速扩张,这对城市生态环境产生了严重的影响。作为城市化水平的关键指示因子,不透水表面已经被广泛应用在城市生态环境评估中。为了定量的分析洱海流域不透水表面拓展的时空动态特征规律,本文以大理市所在的洱海流域为研究对象,利用2005年至2017年的大理市Landsat 5、Landsat 8遥感影像,提取归一化水体指数(MNDWI)和归一化差值不透水表面指数(NDISI)对洱海流域的城市、道路进行空间分析并提取出不透水表面信息进行空间格局分析。研究结果表明：2005~2017年间,随着城市化的快速发展,洱海流域的植被覆盖率和水体等自然地物覆盖率处于下降状态,而不透水覆盖率从11.6%上升到19.8%,呈现快速持续上升趋势。由洱海水质和其流域内不透水覆盖率线性拟合结果可以得到两者具有一定的负相关性。可以预见洱海水质未来发展中随着不透水覆盖率的增长而下降。因此,在城市发展的同时,应该注重对洱海的综合治理,不能任水质自行调节。本研究结果为洱海流域内城市规划管理和流域(水)环境治理提供参考信息,具有重要的现实意义。     

锡苯和铅苯二聚反应的理论研究

采用密度泛函理论B3LYP方法,研究了锡苯和铅苯的[2+2],[4+2]及[4+4]二聚反应的微观机理和势能剖面,考察了Sn(Pb)原子上的2,4,6-三甲基苯基(Mes)取代基对反应势能剖面的影响.研究结果表明,所有反应均为协同过程,且大多数情况下,2个C—Sn(Pb)键同步形成.[2+2]和[4+2]反应在热力学和动力学上均比相应的[4+4]反应容易进行,而[4+2]反应在动力学上比相应的[2+2]反应有利.Sn(Pb)原子上的Mes取代基在热力学和动力学上均不利于反应的进行.铅苯的动力学稳定性与锡苯相当,但其热力学稳定性高于锡苯.     

基于交通信号灯信息的混合动力汽车节能预测控制方法

针对传统混合动力汽车控制方法不考虑已知道路交通信号灯信息对车辆能量管理影响的问题,提出了基于交通信号灯信息的混合动力汽车节能预测控制智能优化策略。通过建立混合动力汽车系统的简化模型,并采用连续广义最小残量方法求解模型预测控制问题。运用MATLAB/Simulink进行仿真,仿真结果验证了交通信号灯信息模型的有效性,以及所设计的模型预测控制算法大幅度提高混合动力汽车的燃油经济性的能力和实时控制性能。研究结果表明所提出的控制策略可以实现车辆行驶轨迹的优化控制,显著提高了车辆的燃油经济性,并满足系统的实时最优控制要求。     

正交试验优化手性镍催化不对称反应条件研究

用正交试验法优化手性镍催化二乙基锌对α，β不饱和酮的不对称麦克尔加成反应条件，优化后的不对称麦克尔加成反应的一般条件为：低温(近反应溶剂冰点)，常压，非质子非极性溶剂(环己烷)．     

Surface of Ru/Fe2O3 catalysts used in water-gas shift reaction studied by auger electron spectrometry

Summary Carbon deposits on the surface ofRu/Fe₂O₃ catalysts used in the water-gas shift reaction have been investigated by Auger Electron Spectrometry. A correlation has been found between the thickness of the carbon deposit and the catalytic activity in WGSR. The carbon deposit covers the metallic active centers and blocks their contact with reagents. The dotting of the iron oxide support with sodium has been found to reduce the amount of carbon deposit. .      

New Develoopment of the Basic Theory of Extenics

In this paper,the new development of three basic theories of Extenics,incluing basic-element theory,extension set theory and extension logic theory ,has been introduced.And the new theoretical frame of Extenics has also been set forth.     

具有sn-网的空间

证明了具有σ—点有限sn—网及σ—局部可数sn—网的空间可刻划为度量空间在某些确定映射下的象.     

Research on Tracing Evaluation System in Virtual Enterprise Based on Neural Network

The tracing evaluation index system was designed to be used in virtual enterprise and established neural network trace evaluation model. As a result, it was more simple and nicer than the traditional method, so it had wider application foreground.     

Pilot Study on Nanofiltration Combined with Ozonation and GAC for Advanced Drinking Water Treatment

IntroductionThe conventional process for surface water treatment,which consists of flocculation, sedimentation and filtrationcurrently, had been applied inproducingdrinkingwater formany years. Although this process can remove turbidityand bacteria in surface water effectively, only about from20% to 30% of natural organic matter ( NOM) can beeliminated. When the purified water is disinfected bychlorination, these NOMs may react with chlorine. As aresult some dis…