High accuracy time and space transform method for advection–diffusion equation in an unbounded domain

A new numerical method called high accuracy time and space transform method (TSTM) is introduced to solve the advection–diffusion equation in an unbounded domain. By a spatial transform, the advection–diffusion equation in the unbounded domain Rⁿ is converted to one on the bounded domain [?1, 1]ⁿ, and the Laplace transform is applied to eliminate time dependency. The consequent boundary value problem is solved by collocation on Chebyshev points. To face the well‐known computational challenge represented by the numerical inversion of the Laplace transform, Talbot's method is applied, consisting of numerically integrating the Bromwich integral on a special contour by means of trapezoidal or midpoint rules. Numerical experiments illustrate that TSTM has exponential rate in time and space. Copyright © 2008 John Wiley & Sons, Ltd.     

A rapid and universal bacteria-counting approach using CdSe/ZnS/SiO2 composite nanoparticles as fluorescence probe

In this paper, a rapid, simple, and sensitive method was described for detection of the total bacterial count using SiO₂-coated CdSe/ZnS quantum dots (QDs) as a fluorescence marker that covalently coupled with bacteria using glutaraldehyde as the crosslinker. Highly luminescent CdSe/ZnS were prepared by applying cadmium oxide and zinc stearate as precursors instead of pyrophoric organometallic precursors. A reverse-microemulsion technique was used to synthesize CdSe/ZnS/SiO₂ composite nanoparticles with a SiO₂ surface coating. Our results showed that CdSe/ZnS/SiO₂ composite nanoparticles prepared with this method possessed highly luminescent, biologically functional, and monodispersive characteristics, and could successfully be covalently conjugated with the bacteria. As a demonstration, it was found that the method had higher sensitivity and could count bacteria in 3 × 10² CFU/mL, lower than the conventional plate counting and organic dye-based method. A linear relationship of the fluorescence peak intensity (Y) and the total bacterial count (X) was established in the range of 3 × 10²–10⁷ CFU/mL using the equation Y = 374.82X − 938.27 (R = 0.99574). The results of the determination for the total count of bacteria in seven real samples were identical with the conventional plate count method, and the standard deviation was satisfactory.     

利用小角/广角X射线散射联用及一维相关函数分析研究聚(ε-己内酯)片晶的形态

用小角/广角X射线散射(SAXS/WAXS)联用的实验方法考察了等温结晶温度(Tc)和等温时间对聚(ε-己内酯)(PCL)片晶形态的影响.根据WAXS数据计算了PCL的重量结晶度,进而求得其体积结晶度Vc(WAXS).在不同Tc下结晶的PCL样品的Vc(WAXS)均略高于50%.对SAXS谱线做一维相关函数(1DCF)分析,得到了PCL的片晶长周期(LP)和无定形层厚度(La).通过比较WAXS及SAXS的数据分析结果,认为PCL晶体需用"三相模型"予以描述,其过渡层厚度(E)约为LP的15%～18%,对片晶形态具有重要影响.随着Tc升高,PCL晶体的Lc、La及E均逐渐增大,但Lc的变化率最大,这使得结晶度上升.在50℃等温结晶不同时间,发现Lc随延长时间显著增加,而La及E则不断减小.等温10天后,PCL晶体的SAXS谱线上可观察到5级散射,表明片晶相当完善.     

基于氮掺杂碳载铁复合物的锌空电池氧阴极催化剂

迫在眉睫的环境和能源问题推动人类探索可行、可靠和可再生的能源技术.锌-空气电池和氢氧燃料电池等器件显示出高能量转换效率,但是仍有许多难题有待克服,例如阴极侧上缓慢的氧还原反应(ORR),以及高昂的成本极大地限制了铂基催化剂在商业上的广泛应用.因此,开发高性能的廉价ORR催化剂具有重要意义.过渡金属碳氮化合物(M-N-C, M=Co, Fe等)成为最有希望替代铂基催化剂的一类材料, M-N-C催化剂可以通过直接热解含有过渡金属、氮和碳物种的前驱体合成.然而热解时金属原子易团聚,多孔结构不能被有效地控制,导致相对较差的催化活性.目前, MOF衍生的催化剂在能源转化和储存技术中得到了广泛的关注,其具有丰富的氮含量、高比表面积和可调的孔道结构等特点.本文报道了一种简便可靠可控的合成铁氮共掺杂碳十二面体纳米结构催化剂的方法,并作为阴极电催化剂用于锌空气电池中,测试结果证实,合成的铁氮共掺杂的纳米碳具有与铂基材料相当的活性和更加优异的稳定性.表面吸附了的邻菲罗啉铁的ZIF-8在碳化过程中,氮基团能够结合铁形成Fe Nx结构单元,因此可得到铁氮共掺杂的电催化剂.粉末X射线衍射,扫描电镜证实ZIF-8的成功合成.经过热解得到的催化剂中Fe Nx或Fe Cx衍射峰较弱,表明样品中铁含量较低,存在部分无定型铁.通过拉曼光谱分析发现,引入的邻菲罗啉在热解过程中诱导了缺陷的形成,所以Fe-NCDNA-0的ID/IG比值明显高于NC.同时ID/IG随着铁含量的增加而减少,这是因为铁可以诱导石墨化,诱导效应随着铁含量的增加而增加.分析氮气吸附-脱附等温线得出,引入邻菲罗啉之后,比表面积增加;而铁的引入因其占据了微孔结构,导致比表面积下降.同时电镜证实Fe-NCDNA-2具有较大的形貌扭曲,使得该材料具有较大的比表面积.系统的电化学研究表明,氮掺杂有利于增强ORR活性,在引入铁之后形成高效的活性中心会进一步提高催化性能.因此, Fe-NCDNA-2在碱性条件下表现出优异的ORR性能.线性扫描伏安法曲线表明,铁氮共掺杂的材料表现出与Pt/C相似的性能,其中Fe-NCDNA-2的半波电位(E1/2)为0.863 V,比商业Pt/C的电位更正(E1/2=0.841 V).同时, Fe-NCDNA-2具有更加优异的稳定性,测试30000 s后的电流保持率为80%(Pt/C:64%).在中性介质中,合成的材料也展示了较高的ORR活性.Fe-NCDNA-2的E1/2=0.715 V,催化30000 s后电流保持率77%,均优于商业Pt/C催化剂.组装的锌空气电池进一步验证其作为氧还原催化剂实际应用的可行性.相比于以Pt/C为催化剂做空气阴极的电池,以Fe-NCDNA-2组装的电池表现出更高的开路电压,更高的功率密度(184 m Wcm^-2),以及更加优异的充放电循环稳定性.该工作也有利于启发研究人员探索类似的氮掺杂过渡金属碳材料在各种催化上的应用.     

Evolution of planetary boundary layer under different weather conditions,and its impact on aerosol concentrations

A field experiment was conducted in Tianjin, China from September 9–30, 2010, focused on the evolution of Planetary Boundary Layer (PBL) and its impact on surface air pollutants. The experiment used three remote sensing instruments, wind profile radar (WPR), microwave radiometer (MWR) and micro-pulse lidar (MPL), to detect the vertical profiles of winds, temperature, and aerosol backscattering coefficient and to measure the vertical profiles of surface pollutants (aerosol, CO, SO₂, NO_x), and also collected sonic anemometers data from a 255-m meteorological tower. Based on these measurements, the evolution of the PBL was estimated. The averaged PBL height was about 1000–1300 m during noon/afternoon-time, and 200–300 m during night-time. The PBL height and the aerosol concentrations were anti-correlated during clear and haze conditions. The averaged maximum PBL heights were 1.08 and 1.70 km while the averaged aerosol concentrations were 52 and 17 μg/m³ under haze and clear sky conditions, respectively. The influence of aerosols and clouds on solar radiation was observed based on sonic anemometers data collected from the 255-m meteorological tower. The heat flux was found significantly decreased by haze (heavy pollution) or cloud, which tended to depress the development of PBL, while the repressed structure of PBL further weakened the diffusion of pollutants, leading to heavy pollution. This possible positive feedback cycle (more aerosols → lower PBL height → more aerosols) would induce an acceleration process for heavy ground pollution in megacities.     

退火处理对ZnO薄膜发光特性的影响

用脉冲激光沉积法(PLD)在MgO(100)、α-Al2O3(0001)和MgAl2O4(111)衬底上沉积了ZnO薄膜,测量了它们的发射光谱,观察到430nm的蓝光发射,并研究了退火、衬底和激发波长对ZnO薄膜这一蓝光发射的影响.指出ZnO薄膜中430nm的蓝光发射是由锌填隙原子缺陷能级到价带顶能级间的跃迁以及电子从氧空位浅施主能级到价带顶能级间的跃迁两种机理共同作用的结果.在MgO衬底上沉积的ZnO薄膜在350nm光激发下蓝光发射峰最强.     

钪-铬天青S-阳离子表面活性剂的显色反应及有机溶剂化效应的研究

本文系统地研究了八种有机溶剂对钪(Ⅲ)-铬天青S-长链季铵盐多元络合物显色反应的溶剂化效应。结果表明不加有机溶剂时,Sc-CAS-OtTAB络合物的摩尔吸光系数为1.4×10⁵升/摩尔·厘米,当适量有机溶剂如甲醇或二甲基甲酰胺存在时,该体系的摩尔吸光系数可提高到3.2×10⁵升/摩尔·厘米。拟定了可以用于直接测定烯土氧化物和镧钪铁氧体中微量钪的分光光度法。测定了钪多元络合物的组成及溶剂化数,探讨了溶剂化效应的机理。     

Sulfonated poly(phthalazinone ether sulfone) membrane as a separator of vanadium redox flow battery

To develop a novel and low-cost membrane as a separator of vanadium redox flow battery, sulfonated poly(phthalazinone ether sulfone) (SPPES) was prepared by sulfonating PPES with fuming sulfuric acid. By testing the sulfonation degree, intrinsic viscosity, and solubility of SPPES, the results showed that sulfonated polymers had higher intrinsic viscosities and excellent solubility in most polar solvents. IR analysis revealed that the –SO₃H group was successfully attached to SPPES backbone. DSC and TG results showed that SPPES exhibited higher T _g than that of PPES, and T _d at the first weight loss of SPPES was about 300?°C. The SPPES membrane (SP-02) showed a dramatic reduction in crossover of vanadium ions across the membrane compared with that of the Nafion membrane. Cell tests identified that VRB with the SPPES membrane exhibited a lower self-discharge rate, higher coulombic efficiency (92.82%), and higher energy efficiency (67.58%) compared with the Nafion system. Furthermore, cycling tests indicated that the single cell with SPPES membrane exhibited a stable performance during 100?cycles.     

Improving the rate performance and stability of LiNi<Subscript>0.6</Subscript>Co<Subscript>0.2</Subscript>Mn<Subscript>0.2</Subscript>O<Subscript>2</Subscript> in high voltage lithium-ion battery by using fluoroethylene carbonate as electrolyte additive

Fluoroethylene carbonate (FEC) is investigated as the electrolyte additive to improve the electrochemical performance of high voltage LiNi_0.6Co_0.2Mn_0.2O₂ cathode material. Compared to LiNi_0.6Co_0.2Mn_0.2O₂/Li cells in blank electrolyte, the capacity retention of the cells with 5 wt% FEC in electrolytes after 80 times charge-discharge cycle between 3.0 and 4.5 V significantly improve from 82.0 to 89.7%. Besides, the capacity of LiNi_0.6Co_0.2Mn_0.2O₂/Li only obtains 12.6 mAh g^?1 at 5 C in base electrolyte, while the 5 wt% FEC in electrolyte can reach a high capacity of 71.3 mAh g^?1 at the same rate. The oxidative stability of the electrolyte with 5 wt% FEC is evaluated by linear sweep voltammetry and potentiostatic data. The LSV results show that the oxidation potential of the electrolytes with FEC is higher than 4.5 V vs. Li/Li⁺, while the oxidation peaks begin to appear near 4.3 V in the electrolyte without FEC. In addition, the effect of FEC on surface of LiNi_0.6Co_0.2Mn_0.2O₂ is elucidated by scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). The analysis result indicates that FEC facilitates the formation of a more stable surface film on the LiNi_0.6Co_0.2Mn_0.2O₂ cathode. The electrochemical impedance spectroscopy (EIS) result evidences that the stable surface film could improve cathode electrolyte interfacial resistance. These results demonstrate that the FEC can apply as an additive for 4.5 V high voltage electrolyte system in LiNi_0.6Co_0.2Mn_0.2O₂/Li cells.     

Fluorimetric determination of tetracycline and anhydrotetracycline

Summary A rapid fluorimetric method employing the complexes of Al³⁺ with tetracycline (TC) and anhydrotetracycline (ATC) has been used for the measurement of the concentrations of TC and ATC in about 10^–7–10^–6 mol/l. The assay offers simplicity and rapidly compared with other methods. The recoveries in the determination of synthetic samples are in the range of 95–103% for TC and 101–120% for ATC. Several determinations of TC and ATC in serum and urine have been carried out with satisfactory results.