含双噻唑聚合物的合成与性能

以丁二酮、液溴和硫脲为原料合成了2,2-二氨基-4,4-联噻唑(DABT);将DABT与对氨基苯甲酸和多聚甲醛共聚制得对氨基苯甲酸缩聚DABT聚合物,然后与铁、镍、铜的硫酸盐配合得到金属配合物。表征了产物结构,测试了产物的热性能、电导率、磁性能和荧光特性。结果表明,对氨基苯甲酸缩聚DABT聚合物的电导率优于配合有金属离子的聚合物,其值为3.12×10-6S/cm,处于半导体范围;配合Fe2+的聚合物具有一定的磁性能,表明配合Fe2+聚合物是一种有机软铁磁体;而配合Cu2+的聚合物能激发产生荧光,具有发射紫外-蓝光特性,可作为新型有机光功能材料。     

窄能隙共轭聚合物--聚[吡咯-2,5-二(二茂铁甲烯)]的合成与表征

通过吡咯与二茂铁甲醛的缩合反应合成了含茂类金属的共轭高分子－聚[吡咯－2，5－二（二茂铁甲烯）]（PPDFcE)及其前聚物聚[吡咯－2，5－二（二茂铁甲烷）](PPDFcA).通过红外、核磁、紫外，元素分析鉴定了产物及其前聚物的结构。利用DSC、TGA及TGA－IR测试分析了所合成聚合物的热学性质，紫外光谱表明PPDFcE的能隙为1．13eV，属窄能隙共轭聚合物，经碘掺杂后产物的电导率在10^-7S/cm,而掺杂TCNQ的产物的导电率达到了10^-2S/cm。     

不同溶剂中导电聚合物PEDOT的化学氧化聚合及光谱研究

利用3,4-乙撑二氧噻吩单体和对甲苯磺酸铁,分别以异丙醇、四氢呋喃和乙氰为溶剂,用化学氧化法合成了导电聚合物聚（3,4-乙撑二氧噻吩）,3种溶剂中的反应速率有较大差异,乙氰中反应速率最快,四氢呋喃中反应速率最慢.三者的聚合产物都具有较高的电导率,但四氢呋喃中合成产物的电导率略高于另外两个产物.红外光谱和拉曼光谱显示,3种溶剂中合成的聚（3,4-乙撑二氧噻吩）在化学结构、分子共轭长度、掺杂情况等方面基本相同.     

新型视黄基席夫碱盐的合成与导电性能

为了探明视黄基席夫碱盐的导电性能,以期在国防装备隐身和电磁防护等领域发挥重要作用,以维生素A醋酸酯为原料经水解、氧化制得视黄醛,通过不同的掺杂金属元素化合物合成了两种新型导电视黄基席夫碱盐,系统地研究了温度、pH对反应的影响规律.结果表明,在温度为80℃强碱性条件下水解6 h,再以PCC(Pyridinium Chlorochromate)试剂在常温下氧化30 d制得视黄醛;合成视黄基席夫碱盐的条件为80℃反应4 h.利用红外光谱表征了视黄基席夫碱盐的结构,测试了合成产物的密度、熔点与导电性能,制得的掺杂铝盐电导率为5.41×10-4S.cm-1、银盐的电导率达0.953 S.cm-1.     

传导性聚呋喃／聚（2-氯苯胺）复合物的制备及性能

刚化学方法在水性和无水介质中合成聚（2-氯苯胺）（P2ClAn）、聚呋喃（PFu）传导性均聚物及复合物并研究丁艇性能。聚合物及其复合物的特征通过了红外光谱、紫外一可见光吸收光谱、热重分析、示差扫描址热法、扫描电镜、磁化率、电导牢测试。研究发现PFu／P2ClAn复合物的热稳定性比P2ClAn／PFu复合物和各自均聚物的要好。按照Gouy等级测试的方法，均聚物及其复合物的传导性机理本质上是极化子和双极化子。研究发现复合物电导率和磁化率值的大小受其客体聚合物含量的影响。P2CLAn／PFu（ω（PFu）=55．8％）电导率为3．21×10^-3S／CM，比各自聚合物的要高（σPFu=1．44×10^-5／CM，σP2CIAn=1．32×10^-5S／CM）。改变复合物合成顺序可以改变电导率、形态特征和热性能。     

稀土席夫碱邻菲罗啉三元配合物的合成及活性研究

以席夫碱[N,N′,-双(2,4-二羟基苯甲醛)缩邻苯二胺](L)和邻菲罗啉为配体,与稀土金属离子配位合成了稀土席夫碱邻菲罗啉三元配合物REM(o-phen)2Cl.2H2O(M=La3+、Pr3+、Nd3+、Sm3+),并利用红外光谱、紫外-可见光谱、元素分析和摩尔电导率仪对其结构进行了分析表征,同时将该类配合物应用于生物活性抑菌试验。结果表明,所有配合物对大肠杆菌、金黄色葡萄球菌和白色念珠菌都有较好的抑菌作用,且配合物RESm(o-phen)2Cl.2H2O的抑菌活性最好。     

石墨烯改性双噻唑聚合物及其配合物的合成与性能

合成了一种含功能化石墨烯的双噻唑聚合物(SDS-GNS)及其配合物SDS-GNS-Cu2+,利用红外光谱、X射线衍射分析等对其结构进行了表征;通过综合热分析得出SDS-GNS和SDS-GNS-Cu2+的失重速率分别为4.8%/℃和5.7%/℃,说明聚合物SDS-GNS和配合物SDS-GNS-Cu2+具有较好的热稳定性;通过常温测定聚合物SDS-GNS和配合物SDS-GNSCu2+的电化学特性,采用交流阻抗拟合方法,获得SDS-GNS和SDS-GNS-Cu2+的电导率分别为2.03×10-6S/cm和2.32×10-6S/cm。     

二茂铁型双（8-羟基喹啉）席夫碱高分子配合物的合成与表征

通过1，1’-二甲酰氯二茂铁与双（8-羟基喹啉）联苯胺席夫碱的缩聚反应，得到了二茂铁-8-羟基喹啉型缩聚物，然后与不同的金属离子配位，获得了一类新型的二茂铁8-羟基喹啉型高分子金属配位聚合物。用红外光谱（IR）、元素分析、差热分析（DSC—TGA）、荧光光谱对配体和金属配位聚合物进行表征。结果表明，配住金属参与后，提高了缩聚物的热性能。配体和配聚物的荧光性能分析表明，化舍物的发射谱出现在425～550nm之间，并且呈现三重荧光性质，在配体与金属离子配合后，其荧光强度增强。     

TiO2掺杂的NiO-NiFe2O4电导率及合成动力学研究

采用固相合成法,在1173～1213K温度范围内合成了NiO-NiFe2O4和0.5%TiO2掺杂的NiO-NiFe2O4。用X射线衍射表征了合成产物。在合成过程中将试样置于两个铂片之间,通过连续测量加热过程中试样的电阻,获得了试样电导率随时间的变化规律,建立了稳态扩散控制的NiFe2O4合成动力学方程,并讨论了掺杂0.5%TiO2对NiFe2O4合成反应速率的影响,获得了0.5%TiO2掺杂的NiFe2O4合成反应的速率系数、活化能、Ni 2＋和Fe3＋离子的平均扩散系数。     

乳液法制备高掺杂率导电聚苯胺

在十二烷基苯磺酸钠(SDBS)乳液中,用漆酶催化合成水溶性导电聚苯胺(PANI)。探讨了反应体系的温度、pH值、苯胺浓度以及酶浓度对聚合反应的影响。通过UV-vis-near-IR,FT-IR和四探针法对产物进行表征,利用核磁共振1 H-NMR谱图分析了产物中SDBS的掺杂率。结果表明:在SDBS乳液中,漆酶催化水溶性导电聚苯胺合成的最适pH值为3.6、苯胺浓度为20mmol·L-1、漆酶加入量为150U·mL-1时,获得的聚合产物掺杂率高达0.47且产率为80.2%,其电导率为5.56×10-5S·cm-1,与其他乳化剂掺杂的本征态聚苯胺相比,掺杂率和电导率均有明显提高。     

凝固科学技术与材料

从凝固科学与实践发展的角度介绍了当前凝固材料体系的基本框架和凝固科学主要发展阶段的基本理论。作为材料科学与工程的基本组成，凝固科学技术正在现代科学理论的基础上针对传统材料的改性提高和新材料的发展需求，以控形、控构、控性为目标开展优质铸件的定向、晶体生长、快凝、深过冷及各种新型和超常领域凝固过程的研究，并介绍了其中某些方面和展望了可能的发展趋势。     

Development and challenges of planning and scheduling for petroleum and petrochemical production

Production planning and scheduling are becoming the core of production management, which support the decision of a petrochemical company. The optimization of production planning and scheduling is attempted by every refinery because it gains additional profit and stabilizes the daily production. The optimization problem considered in industry and academic research is of different levels of realism and complexity, thus increasing the gap. Operation research with mathematical programming is a conventional approach used to address the planning and scheduling problem. Additionally, modeling the processes, objectives, and constraints and developing the optimization algorithms are significant for industry and research. This paper introduces the perspective of production planning and scheduling from the development viewpoint.     

江澳两地高校文创设计的协同研究与商业实践

目的 探索江门世遗文化的传承、发展和转化的新思路,践行国家在《粤港澳大湾区发展规划》纲要中要求江门承担与港澳地区文化创意合作与开发任务的分工。方法 与澳门高校紧密合作,开展专业培训课程,以开平碉楼为例,从人文视角开展设计研究,梳理开平碉楼的文化脉络,把世遗文化的元素和其背后的文化融入文创产品中,提升文创产品的附加值,推动当地文创产业结构的变革。结果 两地高校构建了稳定的科研团队,开设长期有效的设计培训课程,与景区建立了研究协作关系,帮助景区构建了一套产销研的商业模式。结论 以跨区域高校合作为平台,以文创产品为抓手,依托江澳两地的资源优势,可以构建江门世遗文化全新的品牌形象,最终推动开平世遗文化的活化。     

Error and uncertainty in modeling and simulation

This article develops a general framework for identifying error and uncertainty in computational simulations that deal with the numerical solution of a set of partial differential equations (PDEs). A comprehensive, new view of the general phases of modeling and simulation is proposed, consisting of the following phases: conceptual modeling of the physical system, mathematical modeling of the conceptual model, discretization and algorithm selection for the mathematical model, computer programming of the discrete model, numerical solution of the computer program model, and representation of the numerical solution. Our view incorporates the modeling and simulation phases that are recognized in the systems engineering and operations research communities, but it adds phases that are specific to the numerical solution of PDEs. In each of these phases, general sources of uncertainty, both aleatory and epistemic, and error are identified. Our general framework is applicable to any numerical discretization procedure for solving ODEs or PDEs. To demonstrate this framework, we describe a system-level example: the flight of an unguided, rocket-boosted, aircraft-launched missile. This example is discussed in detail at each of the six phases of modeling and simulation. Two alternative models of the flight dynamics are considered, along with aleatory uncertainty of the initial mass of the missile and epistemic uncertainty in the thrust of the rocket motor. We also investigate the interaction of modeling uncertainties and numerical integration error in the solution of the ordinary differential equations for the flight dynamics.     

Density and viscosity of tetralin and trans-decalin

New measurements are reported for the density and viscosity of tetralin and trans-decalin. The density was determined from room temperature to 60°C for tetralin and to 95°C for trans-decalin. The kinematic viscosity was measured up to temperatures slightly above 100°C. Our results improve upon the values recommended by the American Petroleum Institute for these liquids.     

The Candela and Photometric and Radiometric Measurements

The national measurement system for photometric and radiometric quantities is presently based upon techniques that make these quantities traceable to a high-accuracy cryogenic radiometer. The redefinition of the candela in 1979 provided the opportunity for national measurement laboratories to base their photometric measurements on optical detector technology rather than on the emission from high-temperature blackbody optical sources. The ensuing technical developments of the past 20 years, including the significant improvements in cryogenic radiometer performance, have provided the opportunity to place the fundamental maintenance of photometric quantities upon absolute detector based technology as was allowed by the 1979 redefinition. Additionally, the development of improved photodetectors has had a significant impact on the methodology in most of the radiometric measurement areas. This paper will review the status of the NIST implementation of the technical changes mandated by the 1979 redefinition of the candela and its effect upon the maintenance and dissemination of optical radiation measurements.     

Creation and motion of dislocations and fracture in metal and silicon crystals

By making a step on one surface ( ) of a rectangular small paralellepiped copper crystal, dislocations could be created by the molecular dynamic method. The dislocation created was not a complete edge dislocation but a pair of Heidenreich-Shockley partial dislocations. Each time a dislocation was created, the stress on the surface was released. Small copper crystals having a notch were pulled (until fracture), compressed and buckled by use of the molecular dynamic method. An embedded atom potential was used to represent the interaction between atoms. Dislocations were created near the tip of the notch. A very sharp yield stress was observed. The results of high speed deformations of pure silicon small crystals using the molecular dynamics are presented. The results suggest that plastic deformation may be possible for the silicon with a high speed deformation even at room temperature. Another small size single crystal, the same size and the same surfaces, was compressed using molecular dynamic method. The surfaces are {110}, {112} and {111}. The compressed direction was [111]. It was found that silicon crystals are possible to be compressed with a high speed deformation. This may suggest that silicon may be plastically deformed with high speed deformation.     

SMC／BMC的回收与再利用

SMC／BMC废弃物对工业及环境造成了很大影响，指出了SMC／BMC回收再利用的紧迫性。通过对目前国际上SMC／BMC回收再利用的3种典型途径优缺点的对比，参照国外SMC／BMC回收再利用的先进方法，对我国SMC／BMC回收再利用提供了可行的建议．