氧化石墨超声时间对三维还原氧化石墨烯结构及超级电容性能的影响

将氧化石墨凝胶超声不同时间制备氧化石墨烯(GO)溶胶,再以GO溶胶为前驱体采用一步水热法制备了三维还原氧化石墨烯(3DRGO),采用X射线衍射(XRD)、拉曼光谱、原子力显微镜(AFM)、扫描电子显微镜(SEM)和电化学测试等研究了不同超声时间对3DRGO的形貌、结构及超级电容性能的影响.结果表明,当超声时间不超过120 min时,经水热反应后还原氧化石墨烯均能形成稳定的三维结构,但随着超声时间的延长,三维结构尺寸不断减小,强度增加,样品的内部结构也由片状逐渐向多孔网状转化;当超声时间超过120 min时,还原氧化石墨烯虽具有网状结构,但在宏观上不利于形成稳定的三维结构.电化学测试结果表明,经不同超声时间所制备的还原氧化石墨烯均表现出较好的超级电容性能,其中超声时间为120 min时制备的3DRGO具有更均匀的多孔网状结构,表现出了最佳的超级电容性能,在1 A/g电流密度下其比电容可达328 F/g,即使在20 A/g的大电流密度条件下,其比电容仍可高达240 F/g.     

Application of enriched stable 196Hg isotope for monitoring the stability of total mercury in water samples

A novel tool for the investigation of stability of total mercury in water samples is presented. The study focuses on the application of enriched ¹⁹⁶Hg stable isotopic reagent for the stability studies. Natural abundance of ¹⁹⁶Hg in water samples is only 0.15%. Thus, the use of the ¹⁹⁶Hg isotope spike represents a major advantage, when it can be assumed that all the measured isotope is the same as is accurately added by the analyst, and the change in its mass concentration can be followed simply and reliably. Tests were carried out with industrial waste water and two type of the natural water. Cold vapour (CV) inductively coupled plasma mass spectrometer (ICP-MS) technique was applied for the mercury measurements. Monitoring was continued for approximately 100 days. It is commonly advised that the measurement for total mercury in water samples should be carried out within 14 days. In this study the samples were observed to be stable for more than three months, if they were stored at a temperature of 4–6°C. The results of this stability study were in line with the guidance presented in EPA standard 1631. However, the samples were noticed to be stable for a much longer time than is presented in the standard method ISO 17852.     

Combination of Solid‐Phase Micro‐Extraction and Direct Analysis in Real Time‐Fourier Transform Ion Cyclotron Resonance Mass Spectrometry for Sensitive and Rapid Analysis of 15 Phthalate Plasticizers in Beverages

A method for rapid identification and quantification of phthalate plasticizers in beverages was developed. A number of 15 phthalate plasticizers which covered all the phthalates concerned in the US Consumer Product Safety Improvement Act (CPSIA), European Union legislations and Chinese national standards (GB) were analyzed. By a combined solid‐phase micro‐extraction (SPME) and direct analysis in real time mass spectrometry (DART‐MS) approach, phthalates at sub‐ng·mL^?1 levels can be qualitatively and quantitatively analyzed in a short time. The use of ultrahigh‐resolving power and the accurate mass measurement capacity naturally provided by Fourier transform ion cyclotron resonance mass spectrometry (FT‐ICR‐MS) minimizes the matrix interferences and thus enables the evaluation of phthalates in a complex matrix without extensive sample handlings or preparations. The limits of quantification (LOQs) were estimated to be at 0.3–5.0 ng·mL^?1, lower than the Maximum Residue Limit (MRL) regulated by the European Union legislations (2007/19/EC) in foods, beverages, food packaging and toys (0.3–30 ng·mL^?1). This rapid and easy‐to‐use SPME‐DART‐FT‐ICR‐MS method provided a relatively high‐throughput and powerful analytical approach for quick testing and screening phthalates in beverages and water samples to ensure food safety.     

甲氧基多溴联苯醚色谱相对保留时间的QSRR研究

基于有机化合物定量结构与色谱相对保留时间的关系,对26个甲氧基多溴联苯醚化合物进行了B3LYP/6-31G*水平上的结构优化,并在优化结构基础上进行了分子连接性指数和量子化学结构参数的提取。应用SPSS统计软件对甲氧基多溴联苯醚化合物的色谱相对保留时间与分子连接性指数进行了多元线性回归(MLR)。结果表明,三阶类分子连接性指数可以很好地表达甲氧基多溴联苯醚化合物色谱相对保留时间与结构描述符之间的定量关系。用外部测试集的方法对模型预测能力进行了验证,结果表明:所建立的QSRR模型具有较强的稳健性和预测能力。     

Identification strategies for flame retardants employing time‐of‐flight mass spectrometric detectors along with spectral and spectra‐less databases

In the past, the preferred strategy for the identification of unknown compounds was to search in an appropriate mass spectral database for spectra obtained using either electron ionisation (GC‐MS analyses) or collision‐induced dissociation (LC‐MS/MS analyses). Recently, an increase has been seen in the use of accurate mass instruments and spectra‐less databases, based on monoisotopic accurate mass alone. In this article, we describe a systematic workflow for the screening and identification of new flame retardants. This approach utilises LC‐quadrupole‐time‐of‐flight MS and spectra‐less databases based only on monoisotopic accurate mass for the identification of ‘unknowns’. An in‐house database was built, and the input parameters used in the data analysis process were optimised for flame retardant chemicals, so that it can be easily transferred to other laboratories. The procedure was successfully applied to dust, foam and textiles from car interiors and indoor consumer products. The developed method was demonstrated for the main new flame retardant present in Antiblaze V6 and for the three unreported reaction by‐products/impurities present in the same technical mixture. Copyright © 2015 John Wiley & Sons, Ltd.     

Large Optical Nonlinearity Induced by Singlet Fission in Pentacene Films

By creating two triplet excitons from one photo‐excited singlet exciton, singlet fission in organic semiconductors has drawn tremendous attention for its potential applications in boosting the efficiency of solar conversion. Here, we show that this carrier‐multiplication effect can also be used to dramatically improve the nonlinear optical response in organic materials. We have observed large optical nonlinearity with a magnitude of χ⁽³⁾ up to 10^?9 esu in pentacene films, which is further shown to be a result of singlet fission by monitoring the temporal dynamics. The potential application of such efficient nonlinear optical response has been demonstrated with a singlet‐fission‐induced polarization rotation.     

非等距时间序列的GM（1，N）模型及其在地下工程中的应用

文献〔１〕给出了等距时间序列的灰色预测ＧＭ（１，Ｎ）模型，本文把它推广到非等距时间序列，得到了相应模型，并应用于地下工程的几个实例     

A Solute Transport in Stratified Media

Two-dimensional and steady solute transport in a stratified porous formation is analysed under assumption that the effect of pore-scale dispersion is negligible. The longitudinal dispersion produced as a result of the vertical variation of hydraulic conductivity is analysed by averaging the variability of a solute flux concentration and conductivity. The evolution of the solute flux concentration is expressed with respect to the correlated variable, that is the travel (arrival) time at a fixed location and the averaging procedure is constructed to satisfy the boundary condition where the inlet concentration is a known function of time. In such a statement, a velocity-averaged solute flux concentration is described by a conventional dispersion model (CDM) with a dispersion coefficient which is a function of the arrival time. It is demonstrated that such CDM satisfies the assumption that hydraulic conductivity of the layers is gamma distributed with the parameter of distribution which is chosen to represent a reasonable value of the field scale solute dispersion. The overall behaviour of the model is illustrated by several examples of two-dimensional mass transport.