4'-氯-2-氨基联苯的绿色合成与表征

以对氯溴苯和邻氯硝基苯为原料,经格氏反应、Suzuki偶联、Pd-C催化加氢还原3步反应合成了4'-氯-2-氨基联苯.格氏反应中,优化的反应条件为n(对氯溴苯)∶n(硼酸三甲酯)=1.0∶1.2,反应温度为0℃.Suzuki偶联反应中,优化的反应条件为n(邻氯硝基苯)∶n(4-氯苯硼酸)∶n(PdCl2(PPh3)2)=1.00∶1.10∶0.01,还原反应的较佳反应温度为50℃.在优化的反应条件下,4'-氯-2-氨基联苯的合成总收率≥59.7％(以对氯溴苯计),纯度95.0％;产物结构经IR、1H NMR、MS确证.该工艺简单经济,条件温和,高效环保,适合工业化生产.     

考虑光照和风速影响的1000kV柱式CVT温度分布特征研究

建立了温度场三维仿真模型,通过正常运行时仿真结果及现场红外测温图谱的比对,验证了仿真模型的正确性,并对不同光照和风速对1000kV CVT温度分布的影响进行了研究分析.     

High-Throughput Screening for Phase-Change Memory Materials

Phase change memory (PCM) is an emerging non-volatile data storage technology concerned by the semiconductor industry. To improve the performances, previous efforts have mainly focused on partially replacing or doping elements in the flagship Ge-Sb-Te (GST) alloy based on experimental “trial-and-error” methods. Here, the current largest scale PCM materials searching is reported, starting with 124 515 candidate materials, using a rational high-throughput screening strategy consisting of criteria related to PCM characteristics. In the results, there are 158 candidates screened for PCM materials, of which ≈68% are not employed. By further analyses, including cohesive energy, bond angle analyses, and Born effective charge, there are 52 materials with properties similar to the GST system, including Ge₂Bi₂Te₅, GeAs₄Te₇, GeAs₂Te₄, so on and other candidates that have not been reported, such as TlBiTe₂, TlSbTe₂, CdPb₃Se₄, etc. Compared with GST, materials with close cohesive energy include AgBiTe₂, TlSbTe₂, As₂Te₃, TlBiTe₂, etc., indicating possible low power consumption. Through further melt-quenching molecular dynamic calculation and structural/electronic analyses, Ge₂Bi₂Te₅, CdPb₃Se₄, MnBi₂Te₄, and TlBiTe₂ are found suitable for optical/electrical PCM applications, which further verifies the effectiveness of this strategy. The present study will accelerate the exploration and development of advanced PCM materials for current and future big-data applications.     

求解带能力约束车辆路径优化问题的改进模拟退火算法

为高效求解带能力约束的车辆路径优化问题,提出一种带有回火操作的改进模拟退火算法.解析多约束条件下的路径优化特点,构建了结构简单且功能模块相对独立的模拟退火框架,以便相关约束及其算法的耦合嵌套.在此基础上,改变较优解在迭代过程中的接受规则,引入回火操作使全局搜索与局部搜索实现平衡;设计强制的随机邻域变换策略,以提高多约束条件下的新解生成质量.结合初始解生成方法,构建了整体算法.通过不同类型算例的对比实验表明,所提算法具有优越的求解性能,相应的求解框架与优化方法研究,能够为相关的多约束耦合求解提供参考.     

基于粒子群优化和支持向量机的花粉浓度预测模型

为了提高花粉浓度预报的准确率，解决现有花粉浓度预报准确率不高的问题，提出了一种基于粒子群优化（PSO）算法和支持向量机（SVM）的花粉浓度预报模型。首先，综合考虑气温、气温日较差、相对湿度、降水量、风力、日照时数等多种气象要素，选择与花粉浓度相关性较强的气象要素构成特征向量；其次，利用特征向量与花粉浓度数据建立SVM预测模型，并使用PSO算法找出最优参数；然后利用最优参数优化花粉浓度预测模型；最后，使用优化后的模型对花粉未来24 h浓度进行预测，并与未优化的SVM、多元线性回归法（MLR）、反向神经网络（BPNN）作对比。此外使用优化后的模型对某市南郊观象台和密云两个站点进行逐日花粉浓度预测。实验结果表明，相比其他预报方法，所提方法能有效提高花粉浓度未来24 h预测精度，并具有较高的泛化能力。     

不同产地及成熟度牛油果及其油脂品质比较

分析不同产地及成熟度牛油果及其油脂理化性质,脂肪酸组成及反式脂肪酸组成。结果表明:牛油果作为水果,粗脂肪含量和粗蛋白质含量很高;不同产地及成熟度牛油果溶剂提取所得油脂理化性质和脂肪酸组成有一定的差异。研究可为进一步开发牛油果油和制定牛油果油标准提供参考。     

Electrochemical hydrogen storage performance of as-cast and as-spun RE-Mg-Ni-Co-Al-based alloys applied to Ni/MH battery

The La-Mg-Ni-Co-Al-based AB₂-type La_0.8–xCe_0.2Y_xMgNi_3.4Co_0.4Al_0.1 (x=0, 0.05, 0.1, 0.15, 0.2) alloys were prepared via melt spinning. The analyses of the X-ray diffraction (XRD) and scanning electron microscopy (SEM) proved that the experimental alloys contain the main phase LaMgNi₄ and the second phase LaNi₅. Increasing Y content and spinning rate lead to grain refinement and obvious change of the phase abundance without changing phase composition. Y substitution for La and melt spinning make the life-span of the alloys improved remarkably, which is attributed to the improvement of anti-oxidation, anti-pulverization and anti-corrosion abilities. In addition, the discharge capacity visibly decreases with increasing the Y content, while it firstly increases and then decreases with increasing spinning rate. The electrochemical kinetics increases to the optimum performance and then reduces with increasing spinning rate. Moreover, all the alloys achieve to the highest discharge capacities just at the initial cycle without activation.     

离子型稀土矿开采工艺对环境的影响及综合治理

为给赣南离子型矿山开发与保护提供参考，介绍了赣南离子型稀土资源不同开采工艺对环境的影响，并提出了解决环境问题的对策——通过集约化发展、整体布局、统一规划，选择相适应的治理技术和环境综合治理措施。这些对策、措施的落实将能逐步改善矿区生态环境。     

叠合盆地凸起区多期复杂断裂特征及形成机制——以准噶尔盆地车排子凸起为例

以高精度三维地震资料为基础,结合构造演化恢复和区域构造背景,系统研究了准噶尔盆地车排子凸起断裂分布和形成机制。结果表明,车排子凸起发育深部和浅部2套断裂体系,深部断裂体系和浅部断裂体系分别发育3种断裂样式。车排子凸起共经历5个构造演化阶段,其中,晚二叠世挤压-逆冲控制了深部断裂体系的初始形成,晚侏罗世逆冲-走滑控制了深部断裂体系的最终定型,新近纪叠加掀斜、局部伸展控制了浅部断裂体系的形成。不同断裂体系在油气成藏过程中均起到了重要作用。其中:深部断裂体系的红车断裂是重要的油源断裂,低序级断层控制形成了石炭系火山岩优质储集体;浅部断裂体系使得油气向浅部层系运移调整,同时形成了断块圈闭、断鼻圈闭和断层-岩性圈闭等丰富的圈闭类型。