Theoretical study of partial oxidation of ethylene by vanadium trioxide cluster cation

Density functional theory （DFT） study of reaction between vanadium trioxide cluster cation （VO3^＋） and ethylene （C2H4） to yield VO2^＋ ＋ CH3CHO （acetaldehyde） and VO2CH2^＋ ＋ HCHO （formaldehyde） is carried out. Structures of all reactants, products, intermediates, and transition state in the reaction have been optimized and characterized. The results show unexpected barriers in the reaction due to the existence of a η^2-O2 moiety in the ground state structure of VO3^＋. The initial reaction steps combining ethylene adsorption, C=C activation and O-O cleavage are proposed as rate limiting processes. Comparison of reactions of VO3^＋ ＋ C2H4 with VO3 ＋ C2H4 and VO2^＋ ＋ C2H4 in the previous studies is made in detail. The results of this work may shed light on the understanding of C=C bond cleavage in related heterogeneous catalysis.     

Synthesis and luminescence properties of Mn4+-dopant Ca14Zn6Ga10−xAlxO35 solid solution

Mn~(4+)-activated oxide phosphors,owing to their desirable spectral features,eco-friendly and low cost,are emerging as a new class of non-rare-earth red phosphors for warm white LEDs.However,these phosphors possess low photoluminescence quantum efficiency excited by blue chip currently.Herein we report an isostructural solid solution of Ca_(14)Zn_6Ga_(10-x)Al_xO_(35):0.15Mn~(4+)(0≤x≤10)synthesized by a traditional solidstate reaction route.The microstructure and luminescent performance of this red-emitting phosphor are investigated in detail with the aids of X-ray diffraction,diffuse reflection spectra,photoluminescence spectra/decay/QE,and temperature-dependent PL/QE measurements.Blue shift of energy peaks of~4A_2→~4T_1and~4A_2→~4T_2transition is illustrated by the Tanabe–Sugano diagram and the configurational coordinate diagram.The crystal field strength(Dq)and the Racah parameters(B and C)are carefully calculated to estimate the nephelauxetic effectβrespectively.Particularly we achieve external and internal quantum efficiencies as high as26.1%and 40.3%for Ca_(14)Zn_6Ga_6Al_4O_(35):0.15Mn~(4+)excited by 466 nm,the highest one ever reported in Mn~(4+)activated oxide phosphors under the similar condition.     

不同侧压系数下复合地层变形破坏特征数值模拟

针对中国中西部挤压造山带大埋深不同侧压系数(0.5~2.0)下复合地层在工程开挖扰动下复杂叠加的变形破坏特征,采用有限差分程序FLAC3D对3种不同组合型式的复合地层开展了数值模拟研究。同时结合软岩和硬岩解析解的分析对比,发现开挖卸荷作用下复合地层位移量比均质软岩小,前者随侧压系数增加位移量较大的点由顶拱向边墙转移变化。硬岩中富集的主应力比软岩中高。软岩塑性区半径最大的是前软后硬型,比上下叠置型复合地层的结果大很多。后者接近该深度下的均质软岩隧道的塑性圈半径。本文结果可为复合地层中隧道工程设计和施工提供参考。     

用光学方法减弱导弹尾焰对可见光TV制导影响的研究

导弹发射初期尾喷焰及其烟雾对可见光TV参与全程制导的图像处理有严重影响,它是一个明显的覆盖物,研究表明,用光学方法加上图像处理技术可以减弱其影响,排除干扰,达到对双目标即飞机与导弹进行有效的跟踪与制导要求,从而较好地提高了TV制导抗干扰性能及参与全程制导独立作战的能力,无疑必然提高复合光电武器大系统的高附加值。     

CCD光学系统研究

本文从试验工程观点出发,利用CCD器件设计摄取远距离目标图像进行制导的成像系统,并讨论了关键技术及特点。该光学系统配上TM560、TK-66CE等CCD器件组成图像跟踪器,在良好天气条件下作用距离可达40km(CD-5民航机)、25km(歼5飞机)等,明显优于雷达跟踪精度。该系统较充分地发挥了CCD的优点。     

A new method to calculate monthly CO emissions using MOPITT satellite data

A new method is developed to calculate monthly CO emission data using MOZART modeled and MOPITT observed CO data in 2004. New CO emission data were obtained with budget analysis of the processes controlling CO concentration such as surface emission, transport, chemical transform and dry deposition. MOPITT data were used to constrain the model simulation. New CO emission data agree well with Horowitz’s emissions in the spatial distributions. Horowitz’s emissions are found to underes- timate CO emissions significantly in the industrial areas of Asia and North America, where high CO emissions are mainly due to the anthropogenic activities. New CO emissions can better reflect the more recent CO actual emissions than Horowitz’s.     

横空出世:知识产权金融与改革开放40年

知识产权金融是现代经济的新生事物,是改革开放伟大历史进程中知识产权 与现代金融有机融合的产物,它见证和追随着我国深化改革、扩大开放的伟大征程。在改 革开放40 年之际,厘清知识产权金融的概念,梳理知识产权金融的发展历程,总结知识产 权金融的发展成就和特色,很有必要。作者重点从内涵、制度、理念、模式4 个方面探讨知 识产权金融的生长历程,从一个侧影展示知识产权事业在我国改革开放历史进程中的卓 越成就,并对知识产权金融业发展前景及需要重点解决的问题提出建设性的见解。     

基于Fluent的钻井纠斜液压系统导向套叶片形状优化选择

建立3种不同叶片截面形状导向套的SolidWorks模型,利用Fluent软件对自动垂直钻井系统导向套井下多相耦合流场进行仿真分析,得到泥浆通过不同叶片截面形状导向套时的流动特性,进而对导向套叶片截面形状进行优化选择。结果表明,旋转导向套采用三角形截面叶片为最佳选择。     

况澍的集《诗》“七夕”诗

清末况澍,字雨人,广西临桂人,为晚清词学大师况周颐的伯父,有《杂体诗钞》24卷。况周颐曾言幼时受其《杂体诗钞》的影响,仿效“自君之出矣”体,写过“自君之出矣,不复画长眉,眉长似远山,山远君归迟”的诗。况周颐1924年在刻《蕙风词话》于《惜荫堂丛书》中之前有《餐樱庑词话》,其中一部分发表于1920年《小说月报》十一卷五号至十二号,为《蕙风词话》的重要基础。近有人将其中发表于《小说月报》而不见于《蕙风词话》的各则,和散见于有关论著所引而不见于《蕙风词话》及《小说月报》的《餐樱庑词话》佚文分别辑出。在刊于《小说月报》而不见…     

严寒地区无砟轨道温度场及轨道板温度梯度预估模型

严寒地区无砟轨道结构的温度荷载取值,是轨道结构设计及服役性能研究急需解决的关键工程问题。基于东北地区大连、沈阳、长春、哈尔滨四个主要城市的历史气象数据及热力学基本原理,建立了CRTS Ⅰ 型板式无砟轨道-路基结构热力学模型,分析在不利气象条件下无砟轨道-路基结构温度场分布特征,拟合计算结果建立了轨道板最大正负温度梯度与气象数据关系预估模型,对东北严寒地区轨道板最不利温度梯度进行讨论。结果表明：CRTS Ⅰ 型板式无砟轨道-路基结构内部温度垂向分布呈非线性,0.2米深度范围内,轨道板及路基的日温度变化幅度较为剧烈,在一日内承受正负温度梯度的交替作用,1.4m深度后路基的温度趋于平稳,变化幅度可以忽略;通过日气温温差、日太阳辐射总量、风速三个主要气象数据,可以较好的预估CRTS Ⅰ 型板式无砟轨道轨道板一日内的最大正负温度梯度;轨道板的最大正温度梯度与日温差和太阳辐射总量成正比,与风速成反比,轨道板的最大负温度梯度与日温差、太阳辐射量及风速成正比。