C60的惰性气体原子化合物分子力学研究

利用分子间相互作用势模型对惰性气体原子在Ｃ６０分子内所形成的化合物进行了研究，讨论了惰性气体原子Ｘ的平衡位置及体系的稳定性，Ｈｅ，Ｎｅ和Ａｒ原子的平衡位置在Ｃ６０笼的中心，而Ｋｒ和Ｘｅ原子则在Ｃ６０笼外比在其内部时体系更稳定，通过考察其附加原子半径大小，可以对附加原子与Ｃ６０笼能否形成稳定的化合物提供预见性。     

密排晶格结构的计算机辅助教学

根据两种密排晶格结构的特点,在计算机辅助教学中采用三维动画的形式模拟原子球的动态堆积,解决了传统教学方式在固体物理学中遇到的困难.     

碳硫硅酸钙型硫酸盐侵蚀测试方法

碳硫硅酸钙和钙矾石有着很相似的晶体结构及形貌,常规测试中容易将二者混淆.在分析二者物相结构的基础上,介绍和评价了电子显微分析和成分分析、X射线衍射分析、红外和拉曼光谱分析、热分析、核磁共振等测试方法在碳硫硅酸钙型硫酸盐侵蚀研究中的应用特点和不足.电子显微分析和成分分析的结合以及单一的热分析能初步判定腐蚀产物中碳硫硅酸钙的存在,X射线衍射分析很难区分二者,红外、拉曼光谱以及核磁共振能确定硅氧八面体的存在,从而证明存在碳硫硅酸钙,因此研究中宜采用多种测试方法.     

苦参碱在玻碳电极上的直接电化学行为及电分析方法研究

研究了生理介质中苦参碱在玻碳电极上的直接电化学行为,结果发现,在0.30～1.20V(相对于SCE)的电位窗口内及0.15mol/LNaCl水溶液中,苦参碱在0.92V附近产生了一个不可逆氧化峰,并且在一定条件下电极反应受扩散步骤控制.运用差分脉冲伏安法研究了苦参碱的峰电流与其浓度的关系,确定了浓度测定线性范围4.0×10-4～1.4×10-2mol/L,检测限为(4.0±0.02)×10-4mol/L.用该方法测定了相应药物中苦参碱的含量,相对偏差在0.6%以内,平均回收率为100.0%～101.0%,测定的精密度和准确度符合测定要求.     

羌塘盆地中晚侏罗世旋回地层初步分析

羌塘盆地是中国海相侏罗系最为发育的地区之一,对该套地层开展了旋回地层学研究,初步的研究结果表明羌塘盆地中上侏罗统至少存在四种旋回类型,即沉积旋回、古生物旋回、地球化学旋回和磁化率旋回,并按级别将低频旋回划分为3个旋回级次.其中一级旋回是由顶底不整合面限制的一个总体向上变粗变浅的充填序列,持续时间为48 Ma;二级旋回显示为大型的海进-海退旋回,旋回的时间跨度为27～29 Ma;三级旋回显示为向上变粗或向上变细的不完整旋回,旋回的时间跨度为7～14 Ma.古生物旋回、地球化学旋回(碳氧稳定同位素、微量元素)和磁化率旋回与沉积旋回具有良好的响应,并与特提斯同期低频旋回具有很好的对比性.     

SEM analysis of the changes of carbon layer structure of mesocarbon microbeads heat-treated at different temperatures

Mesocarbon microbeads (MCMB) with narrow size distribution, excellent sphericity and no obvious conglutination have been prepared with a coal tar pitch containing quinoline insolubles (QI) as the raw material. Optical microscopy and scanning electron microscopy (SEM) are used to examine the structure of the MCMB. It has been found that SEM technique shows the structural information of MCMB clearly in the form of micrographs even when the structure of MCMB is complex, while the optical technique is useful for analysis of the regular structure of the mesophase spheres but cannot be effectively used to analyze either the complex structure of the green MCMB or the structures of the further heat-treated ones at different temperatures. According to the characteristics of the carbon layers, the structures of the as-prepared MCMB in the present experiment could be classified as (I) Parallel Layer type structure and (2) Bent Layer type structure with the carbon layers gathering at one or two points in the MCMB. In the experiments, SEM is also utilized to investigate the structures of MCMB that are heat-treated at different temperatures. It has been found that the MCMB without any further heat-treatment show no layered-carbons, while the ones heat-treated at temperaturehigher than 1000℃ exhibit obvious layered carbons across their sections. When increasing the heat-treatment temperature, the carbon layers become thinner and flatter.     

Analysis of carbon isotopes in airborne carbonate and implications for aeolian sources

Methods were developed to determine the mass ratios of carbon isotopes in trace amounts of aerosol carbonate. A Finnigan MAT 252 mass spectrometer fitted with an on-line Kiel device was to determine the ^13C/^12C ratio in CO2 produced from the carbonate. A study using these methods was conducted to characterize the carbonate carbon isotopes in aerosol samples collected in Xi‘an on dusty and normal days during March and April 2002. Results of the study demonstrate that insights into the origin of the dust can be deduced from its isotopic composition. That is, the δ^13C ofcarbonate for dust storm samples ranged from -1.4‰ to -4.2‰, and this is consistent with sandy materials in dust source regions upwind. In contrast, for non-dusty days δ^13C ranged from -7.5% to -9.3‰, which is more similar to fine particles emitted from local surface soils. Comparisons of dust storm aerosols with surface soils from source regions and with aerosol samples collected downwind indicate that the δ^13C values did not change appreciably during longrange transport. Therefore, carbon isotopes have the potential for distinguishing among source materials, and this approach provides a powerful new tool for identifying dust provenance.     

室温下N-羟基琥珀酰亚胺活化酯法合成吡咯-2,5-二乙酰胺

在室温下用一锅反应法以二环己基碳二亚胺（DCC）（2 equiv．）为偶合试剂，使用过量（4equiv．）的胺，用N-羟基琥珀酰亚胺（Hosu）（2 equiv．）活化酯法合成了吡咯-2，5-二酰胺，且产率（70％）比在低温时（63％）有所提高．探讨了选用不同的合成方法及偶合试剂以及反应条件和试剂的用量对合成目标产物的影响．     

射频溅射两步法制备立方氮化硼（c—BN）薄膜

用常规射频(RF)溅射系统，采用两步法在Si(111)衬底上制备出较高粘附性的立方氮化硼(c—BN)薄膜。沉积过程分为成核(第一步)和生长(第二步)两步，当由第一步变为第二步时，工作气体由Ar气变为Ar和N2的混合气体，衬底温度和偏压也降为较低的值。对不同生长阶段的薄膜进行了SEM、FTIR分析，对最后沉积的薄膜进行了XPS分析。结果表明：采用两步法在Si(111)衬底上沉积的c—BN薄膜内应力较之常规方法减小约11．3GPa，薄膜的B、N原子之比为1．01，c—BN的体积分数为88％，薄膜置于自然环境中6个月尚未有剥离现象。文中还讨论了c—BN薄膜的综合生长机制。     

活性炭微波加热制备装置的仿真设计

活性炭在石化、电力、化工、临床医疗、环保等多个行业中广泛应用,其市场需求量也与日俱增.研究表明,相对于传统方法,微波法制备的活性炭具有孔隙结构更发达,比表面积更大,孔隙结构分布更均匀等优势.然而,这些研究都局限于实验室层面,现有的微波加热装置普遍存在热点、热失控和加热效率低下等问题.这严重限制了微波能在活性炭工业制备中的大规模应用.针对上述问题,本文以国内大量存在的竹子为研究对象,提出了一种可用于活性炭制备的微波均匀加热装置设计方案.通过多物理场仿真计算,以原材料的受热均匀性及装置的能量馈入率为考核标准,采用参数扫描分析的方法对装置参数进行了优化,得到了S11参数为-26.81dB,温度场的变异系数为0.2834的加热装置.此外,本文还结合参数扫描过程以及不同算法的运用,验证了该仿真计算的鲁棒性和准确性.该文章的工作对当前的活性炭工业制备装置的设计具有重要指导意义.