永磁体等效磁矩的测量

在磁技术应用中，对永磁材料的主要磁性参数的研究及测量已成为人们关注的问题之一．本文提出通过测量磁场从而确定永磁体磁矩的一种简便方法，并就测量所涉及的有关问题作了讨论．     

双氟取代苯和联苯类液晶化合物的量子化学研究

运用AM1和PM3两种SCF-MO方法,通过能量梯度全优化计算,给出了对一系列环上双氟取代苯、联苯液晶化合物的稳定几何构型、电子结构和分子基本性质(生成热、偶极矩、前沿分子轨道能级等)。联系有机结构理论进行了分析和讨论。初步阐明了其分子结构与介电各向异性之间的关系,为设计和开发新型液晶分子研究提供了有较大价值的线索。     

Spectroscopic and quantum chemical study on electronic and geometric properties of free and embedded dithizone molecules

The molecular and electronic structure of the three tautomeric forms of dithizone has been calculated by using semiempirical, density functional theory (DFT), and ab initio methods. Comparison of ground‐state energies shows the symmetric form most stabilized, but there is only a small barrier (<3 kcal/mol) for the hydrogen transfer from N? H toward H? S (enol form). For understanding the origin of the optical transitions intermolecular interactions have to be taken into account. By using the supermolecule method, the absorption band pattern can be rationalized already on the level of the PM3 model. The nuclear magnetic resonance (NMR) solution spectrum is interpreted in terms of an equilibrium between the symmetric and the enol forms of dithizone. The appearance of strong EPR signals only for the solid state reflects a considerable lowering of the triplet state (symmetric form). Experimental features are discussed in view of calculated energies (stabilization), chemical shifts (NMR), and SOMO orbitals (EPR). © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001     

Transport of airborne particulate matters originating from Mentougou, Beijing, China

In this study, a coupled regional air quality modeling system is applied to investigate the time spatial variations in airborne particulate matters （PM10）, originating from Mentougou to Beijing municipal area in the period of April 1-7, 2004, and the influences of complex terrain and meteorological conditions upon boundary layer structure and PM10 concentration distributions. An intercomparison of the performance with CALPUFF against the observed data is presented and an examination of scatter plots is provided. The statistics show that the correlation coefficient and STD between the modeled and observed data are 0.86 and 0.03, respectively. Analysis of model results illustrates that the pollutants emitted from Mentougou can be transported to Beijing municipal area along certain transport pathways, and PM10 concentration distributions show heterogeneity characteristics. Contributions of the Mentougou sources to the PM10 concentrations in Beijing municipal area are up to 0.1-15 μg/m^3.     

Characteristics of elemental carbon and organic carbon in PM10 during spring and autumn in Chongqing, China

PM10 （particulate matter with aerodynamic diameter less than 10 μm） samples were collected simultaneously at nine urban sites and one urban background site during two intensive observation campaigns in 2006. Concentrations of elemental carbon （EC） and organic carbon （OC） in PM10 were analyzed using an element analyzer. The characteristics regarding spatial and seasonal distribution patterns of OC and EC concentrations and their contributions to PM10 mass, as well as correlation between OC and EC, were investigated in detail. The average OC and EC concentrations for urban sites were 57.5 ± 20.8 and 8.3 ± 3.9 μg/m^3, respectively, both being around three times higher than those for urban background site. As a whole, EC concentrations did not show distinct seasonal variations, though OC concentrations were generally higher in autumn than in spring. For urban sites, total carbonaceous aerosol （TCA） accounted for 33.2% in spring and 35.0% in autumn of PM10 mass. The OC and EC concentrations were found significantly correlated to each other both in spring and in autumn, implying the existence of similar emission sources such as coal combustion. The OC/EC ratios generally exceeded 2.0, indicating the presence of secondary organic carbon （SOC）, whose estimated concentration for urban Chongqing was 26.7 and 39.4μg/m^3, accounting for 48.9 and 61.9% of the total OC observed in the samples, in spring and in autumn, respectively.     

广州秋季灰霾和正常天气PM2.5中水溶性离子特征

为了探讨细粒子(PM2.5)在灰霾天气下水溶性离子的组分特征,2007年秋季在广州万顷沙连续一个月采集了大气PM2.5样品,分析了SO42-,NO3-,NH4+,Cl-,Na+,K+,Ca2+,C2O42-,F-,NO2-和HCOO-11种水溶性离子含量.结果显示,正常天气和灰霾天气PM2.5总水性离子质量浓度分别为3...     

Effect of variable viscosity and viscous dissipation on the Hagen‐Poiseuille flow and entropy generation

In this article, the steady‐state flow of a Hagen‐Poiseuille modelin a circular pipe is considered and entropy generation due tofluid friction and heat transfer is examined. Because of variationin fluid viscosity, the entropy generation in the flow varies. Inhis model, Arrhenius law is applied for temperature equation‐dependent viscosity, and the influence of viscosity parameters on the entropy generation number and distribution of temperature and velocity is investigated. The governing momentum and energy equations, which are coupled due to the dissipative term in the energy equation, were solved by analytical techniques. The solutions of equations via perturbation method and homotopy perturbation method are obtained and then compared with those of numerical solutions. It is found that the fluid viscosity influences considerably the temperature distribution in the fluid close to the pipe wall, and increasing pipe wall temperature enhances the rate of entropy generation. © 2009 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 27: 529–540, 2011     

Determination of per- and polyfluorinated substances in airborne particulate matter by microwave-assisted extraction and liquid chromatography-tandem mass spectrometry

A sensitive and confirmatory analytical method has been developed for the determination of 12 ionic per- and polyfluorinated alkyl substances (PFAS) in fine airborne particulate matter (PM2.5) at trace levels. The proposed method includes extraction of PM2.5-bound PFAS by microwave-assisted extraction (MAE) followed by centrifugation and injection into the liquid chromatograph coupled to a triple quadrupole tandem mass spectrometry system (LC-MS/MS). The main parameters affecting the performance of MAE were optimised using statistical design of experiments (DoE). Recoveries ranged from 83 to 120% and the method quantification limit (MQL) was 1.4 pg m(-3), when air volumes of 720 m(3) were sampled. This method was successfully applied to 41 samples collected from five stations of the monitoring network of the Valencian Regional Government (Spain) during April-July 2010. Eight out of 12 PFCs investigated were quantified in at least one sample (PFBA, PFPeA, PFHxS, 6:2 FTS, PFOA, PFNA, PFOS and PFDA). The measured concentrations ranged from 1.4 to 34.3 pg m(-3).     

Carbon-13 NMR Study of 2,4,6-Triaryl Pyridinium Salts

The carbon-13 chemical shift of seventeen N-substituted 2,4,6-triphenyl pyridinium salts (TPP) and N-substituted 2,4,6-triaryl pyridinium (TsPP) salts have been determined.