Effects of doping, Stone Wales and vacancy defects on thermal conductivity of single-wall carbon nanotubes

The thermal conductivity of carbon nanotubes with certain defects (doping, Stone-Wales, and vacancy) is investigated by using the non-equilibrium molecular dynamics method. The defective carbon nanotubes (CNTs) are compared with perfect tubes. The influences of type and concentration of the defect, length, diameter, and chirality of the tube, and the ambient temperature are taken into consideration. It is demonstrated that defects result in a dramatic reduction of thermal conductivity. Doping and Stone-Wales (SW) defects have greater effect on armchair tubes, while vacancy affects the zigzag ones more. Thermal conductivity of the nanotubes increases, reaches a peak, and then decreases with increasing temperature. The temperature at which the thermal conductivity peak occurs is dependent on the defect type. Different from SW or vacancy tubes, doped tubes are similar to the perfect ones with a sharp peak at the same temperature. Thermal conductivity goes up when the tube length grows or diameter declines. It seems that the length of thermal conductivity convergence for SW tubes is much shorter than perfect or vacancy ones. The SW or vacancy tubes are less sensitive to the diameter change, compared with perfect ones.     

聚偏氟乙烯在不同衬底上的结晶行为研究

利用滴涂法制备聚偏氟乙烯(PVDF)薄膜,分别以载玻片、铜片、聚四氟乙烯(PTEF)为衬底研究衬底、退火时间和退火温度对PVDF薄膜结晶行为的影响。实验表明PVDF在PTEF基体上更容易结晶,这是因为PTEF是非极性基体,PVDF分子链运动在界面不受限制,能够充分地重排,利于晶体的生长;延长退火时间,PVDF分子链能够充分进行重排,形成规整的结构,提高结晶性;同时提高退火温度也有利于PVDF薄膜的结晶。另外,基体作用、退火时间和退火温度不会改变PVDF晶体结构,但会不同程度地影响α和β相的含量。     

Synthesis,Crystal Structure and Luminescent Properties of [Ag（bzdmpymt）]6·2MeOH （bzdmpymtH = 5-Benzyl-4,6-dimethylpyrimidine-2-thione）

Reaction of AgAc with bzdmpymtH in MeOH resulted in the title compound [Ag（bzdmpymt）]6-2MeOH （1.2MeOH）, which was structurally characterized by elemental analysis, IR, and single-crystal X-ray diffraction analysis. 1.2MeOH belongs to the triclinic system, space group Pi, with a = 10.930（2）, b = 11.646（2）, c = 16.794（3）A, a = 103.97（3）, β = 97.07（3）, γ = 97.94（3）°, V = 2027.2（7） A3, Z = 1, μ = 1.629 mm^-1, Dc = 1.710 mg/m3, T = 193（2） K, CsoH86Ag6N12O2S6, Mr = 2087.25, F（000） = 1044, S = 1.034, R = 0.0355 and wR = 0.0709. In 1.2MeOH, six silver（I） atoms are held together by six bzdmpymt ligands through N and S atoms to form a water-wheel-shaped structure. Each Ag atom is coordinated by two S atoms from two bzdmpymt ligands and one N atom from the third bzdmpymt ligand, giving a trigonal planar coordination geometry. Interactions between the CH3 group of bzdmpymt ligand and one pyrimidyl nitrogen atom in an adjacent molecule afford a one-dimensional hydrogen-bonding chain running along the b axis. The luminescent property of 1.2MeOH was also investigated.     

支链聚乙烯亚胺辅助硼酸功能化磁性纳米粒子的制备及其用于人参皂苷的特异性富集

为了实现更高效的人参皂苷富集,以硼亲和色谱为核心,结合支链聚乙烯亚胺放大硼酸配基数量,合成了支链聚乙烯亚胺辅助硼酸功能化磁性纳米粒(PEI-BA-MNPs),用于实际样品中人参皂苷的选择性富集,结合高效液相色谱,建立了一种分析实际样品中的人参皂苷的方法。以人参皂苷Re为代表,在优化的磁性固相萃取的条件下,该方法在50~800 μg/L的范围内呈现良好的线性,线性相关系数(R²)为0.9681。添加水平在0.1~10 mg/L时,回收率为91.5%~117.3%,相对标准偏差为7.2%~13.4%。由于所得材料对于人参皂苷的高亲和力,经所建立的方法富集过后,人参皂苷Re的灵敏度提高了约50倍。同时,所得材料重复使用5次以后还可以保持至少72%的原始吸附量。最后,将该方法用于启脾口服液中人参皂苷Re的含量分析,并与2015版《中国药典》的标准方法做对比。结果显示,所建立的方法检测出的人参皂苷Re含量为0.27%,虽然与标准方法测得的含量(0.31%)有些微差距,但该法极大地节约了实际操作中样品前处理的步骤和时间。结果表明,所制得的PEI-BA-MNPs可以用作磁性固相萃取吸附剂实现实际样品中人参皂苷的选择性富集。该方法亲和力强,选择性好,灵敏度高,操作快速简便且准确度高,具有很大的应用价值和发展前景。     

电感耦合等离子体原子发射光谱法测定某些特殊试样中痕量铬（Ⅵ）——共沉淀法快速分离铬（Ⅲ）

电感耦合等离子体原子发射光谱法(ICP-AES)应用于某些特殊试样(特别试液背景色泽很深或略带混浊者)中铬(Ⅵ)的测定.试样溶液中共存的铬(Ⅲ)及一些其他金属离子的干扰,借在PH 9.5的氨性溶液中以Fe(Ⅲ)离子作载体共沉淀分离予以消除,用ICP-AES法测定滤液中铬(Ⅳ).试验表明:铬(Ⅲ)共存量达100 mg·L-1时,经沉淀分离后不影响铬(Ⅵ)的测定,铬(Ⅵ)的回收率接近100%.此方法的检出限(3σ)为0.054 mg·L-1,应用所提出的方法测定了一种黄色油漆中在铬(Ⅲ)共存下的铬(Ⅵ),平行7次测定,相对标准偏差为1.3%.     

胃液迁移模型的有机锡检测中假阳性现象

有机锡作为一类高风险的有害物质,是各类消费品检测中重点关注的物质之一。 在日常检测中发现,当采用胃液迁移模型对以锡或镀锡为基材的涂层材料进行有机锡检测时,经常会出现甲基锡的假阳性现象。 本文采用金属锡粉模拟实际样品中的无机锡成分,通过GC-MS检测发现单质锡可转化为三乙基甲基锡,其质量浓度为0.56 mg/L,并由此提出了其来源的3种可能性,即1)三乙基甲基锡由无机锡与衍生试剂中微量甲基化试剂反应得到;2)三乙基甲基锡由四乙基锡在进样口或色谱柱内分解得到;3)三乙基甲基锡由四乙基锡于色谱柱内发生甲基取代反应得到或来自于进样口残留污染。 通过实验对假设进行验证。 结果表明,假阳性现象主要是由衍生试剂四乙基硼酸钠中含有的极少量甲基化试剂引起。 因此,相关标准应对衍生试剂中甲基化试剂的含量做出规定,以避免引起误判。     

基于GIS的海岸带土地开发利用强度评价——以杭州湾南岸为例

根据海岸带土地资源特征,利用GIS空间分析,结合多期土地利用数据与资源环境承载力、社会发展潜力数据进行海岸带土地利用适宜度及开发强度评价与分析,并以杭州湾南岸为例,对其2000~2005年与2005~2010年土地资源开发利用强度进行评价分析.结果表明:(1)研究区土地开发强度普遍较弱,但2005~2010年开发强度与2000~2005年的开发强度相比有所下降;(2)研究区土地开发利用平均强度具有较明显的空间分布特点,沿海至内陆呈U形趋势,且慈溪岸段较余姚、镇海岸段强;(3)开发强度较大区域土地利用变化类型主要为农用地转城乡建设用地、滩涂转城乡建设用地、浅海水域转滩涂等.     

固体核磁共振样品制备系统的自主研制

近年来,国内多个科研单位引进了固体核磁共振波谱仪．由于目前固体核磁共振波谱仪还没有国产化,完全依赖进口,因此仪器及配套的样品制备系统价格昂贵．转子是魔角旋转核磁共振实验的关键耗材,其尺寸精密度要求极高,加工难度大．通过分析进口成品3.2 mm固体核磁共振转子及其配套样品制备工具的特性和实际应用需求,改进转子各零部件之间的连接方式,优化转子的密封性,成功实现了固体核磁共振转子和配套样品制备工具箱的自主研制．测试结果表明,自主研制的转子能在12 kHz转速下正常运行,满足常规固体核磁共振实验需求,且配套的样品制备工具箱操作简单,安全可靠．     

Reconstruction of dynamic structures of experimental setups based on measurable experimental data only

Nowadays, massive amounts of data have been accumulated in various and wide fields, it has become today one of the central issues in interdisciplinary fields to analyze existing data and extract as much useful information as possible from data. It is often that the output data of systems are measurable while dynamic structures producing these data are hidden,and thus studies to reveal system structures by analyzing available data, i.e., reconstructions of systems become one of the most important tasks of information extractions. In the past, most of the works in this respect were based on theoretical analyses and numerical verifications. Direct analyses of experimental data are very rare. In physical science, most of the analyses of experimental setups were based on the first principles of physics laws, i.e., so-called top-down analyses. In this paper, we conducted an experiment of "Boer resonant instrument for forced vibration"(BRIFV) and inferred the dynamic structure of the experimental set purely from the analysis of the measurable experimental data, i.e., by applying the bottomup strategy. Dynamics of the experimental set is strongly nonlinear and chaotic, and it's subjects to inevitable noises. We proposed to use high-order correlation computations to treat nonlinear dynamics; use two-time correlations to treat noise effects. By applying these approaches, we have successfully reconstructed the structure of the experimental setup, and the dynamic system reconstructed with the measured data reproduces good experimental results in a wide range of parameters.     

两个C_(19)-二萜生物碱的结构鉴定和NMR信号归属（英文）

从剑川乌头(Aconitum handelianum)的根中分离得到两个C_(19)-二萜生物碱:高展花乌头宁(homochasmanine,化合物1)和14-去苯甲酰大渡乌碱(14-debenzoylfranchetine,化合物2).采用1D和2D核磁共振(NMR)技术(包括~1H NMR、~(13)C NMR、DEPT、~1H-~1H COSY、HSQC、HMBC和NOESY)对其进行结构鉴定,完整归属了这两个化合物的~1H和~(13)C NMR信号.