光栅投影相位法系统模型及标定方法

本文针对传统投影光栅相位法的光学三角法模型进行了改进,采用直入射光路并配合使用一种简便易行的标定方法,只需使用相移公式求取相位差,而不会引入与系统几何位置关系有关的量,简化了求取高度矩阵的要求。实验结果表明,新系统模型精度良好,测量误差为0.107 mm。采用该模型和标定方法可以克服传统方法系统模型的局限性,最大限度减少误差源并提高抗干扰性。     

SnO_2/石墨纳米片复合电极及其在超级电容器中的应用

在电场的作用下对石墨棒进行电化学剥离,使其表面形成相互平行排列,且垂直于石墨棒基底的二维(2D)石墨纳米片阵列(GNSA).然后通过阴极还原电沉积法制备Sn O2/石墨纳米片阵列(Sn O2/GNSA)复合电极.采用场发射扫描电镜(FE-SEM)、X射线衍射(XRD)和傅里叶变换红外(FT-IR)光谱对其形貌和结构进行了表征.电化学测试表明该复合电极具有优异的超电容性能,在0.5 mol·L-1Li NO3电解质中,扫描速率为5 m V·s-1,电位窗口为1.4 V时,比电容达4015 F·m-2.由Sn O2/GNSA复合电极和相同电解质组装成的对称型超级电容器,在扫描速率为5 m V·s-1时,其电位窗口可增至1.8 V,能量密度达到0.41 Wh·m-2,循环5000圈后其比电容仍保持为初始比电容的81%.     

噻唑类缓蚀剂与青铜器表面粉状锈相互作用的理论研究

利用密度泛函(DFT)、概念DFT和自然键轨道理论(NBO)分析了3种常见的噻唑类缓蚀剂5-氨基-2-巯基-1,3,4-噻二唑(AMT)、3-氨基-5-巯基-1,2,4-三氮唑(ATA)和5-乙酰氨基-2-巯基-1,3,4-噻二唑(MAcT)及其与青铜器表面粉状锈中CuCl2作用后形成配合物X(X=Ⅰ-Ⅲ)的结构和反应性能.通过计算研究发现,AMT的缓蚀活性最强,与CuCl2之间的相互作用能最大,所形成配合物Ⅰ的二级稳定化能Eij(2)为603.37kJ·mol-1,并且配合物Ⅰ的反应活性最强,相互间形成聚合物的可能性最大.     

Synthesis of new cyclotriphosphazene derivatives bearing Schiff bases and their thermal and absorbance properties

In this study, a series of cyclotriphosphazene derivatives containing a Schiff base (3a–3d) were synthesized by the reactions of hexachlorocyclotriphosphazene (1) with bis-aryl Schiff bases ( 2a – 2d ) having different terminal groups (H, F, Cl, and Br). The products ( 3a – 3d ) were characterized by elemental and mass analyses, FT-IR, and ¹ H, ¹³ C, and ³¹ P NMR spectroscopies. Furthermore, the structure of compound 3a was also determined by X-ray crystallography. The thermal behaviors and the spectral properties of the new cyclotriphosphazene compounds ( 3a – 3d ) were investigated and the results were compared in the series.     

Biosynthesis of silver nanoparticles using Onosma sericeum Willd. and evaluation of their catalytic properties and antibacterial and cytotoxic activity

In this study, silver nanoparticle (AgNP) synthesis was carried out using Onosma sericeum Willd. aqueous extract for the first time, with a simple, economical, and green method without the need for any other organic solvent or external reducing or stabilizing agent. A variety of AgNPs, all of different particle sizes, were synthesized by controlling the silver ion concentration, extract volume, temperature, and pH. It was determined that the optimum conditions for AgNP synthesis were 1 mM AgNO3, pH 8, 25 °C, 20 g/200 mL extract, silver nitrate, and extract ratio 5:1 (v/v). The AgNPs were defined using UV-Vis spectroscopy, field emission scanning electron microscopy (FESEM), energy dispersive X-ray analysis (EDAX), transmission electron microscopy (TEM), and X-ray diffraction (XRD). The particle size distribution and zeta potential measurements of the AgNPs were measured using the dynamic light scattering (DLS) technique. It was determined that the AgNPs with a particle size of less than 10 nm showed a higher catalytic effect in the reduction of 2-nitrobenzenamine. It was also found that these nanoparticles had a cytotoxic effect on the MCF-7 breast cancer cell line depending on dosage and time. The resulting IC50 values were between 76.63 µg/mL and 169.77 µg/mL. Furthermore, the biosynthesized AgNPs showed effective antibacterial activity against the Acinetobacter baumannii bacteria. The results of the study showed that synthesized AgNPs can have a promising role in biomedical and nanobiotechnology applications.     

一维瞬态辐射传输的有限元法模拟

随着超短脉冲激光的快速发展,吸收散射性介质内的瞬态辐射传输引起了人们的广泛关注.本文基于离散坐标法和最小二乘有限元法(LSFEM),提出了模拟多维吸收散射性介质内瞬态辐射传输的数值模型.该模型有效地克服了在标准Galerkin有限元法(GFEM)中发生的伪振荡现象,在时间步长较大的情况下仍然可以得到光滑无振荡的解.而且,最小二乘法产生的求解系数矩阵是对称正定的,与GFEM中的系数矩阵相比,仅需要存储一半的非零系数,可以应用许多高效的迭代求解方法进行求解.为了检验模型,本文研究了一维吸收散射性介质内瞬态辐射传输问题,其结果与蒙特卡洛法(MCM)和积分模型法(IE)的结果进行了比较,结果证实:本文的方法可以精确、高效地模拟参与性介质内的瞬态辐射传输.     

带有可调通道的嵌段共聚物胶束对药物的控制释放

用聚丙烯酸叔丁酯-b-聚乙二醇(PtBA45-b-PEG114)和聚丙烯酸叔丁酯-b-聚4-乙烯基吡啶(PtBA60-b-P4VP80)制备了复合胶束. 该胶束在pH=2.5的酸性水溶液中形成以PtBA为核, PEG和P4VP为壳的稳定球型结构. 在pH=12时, 壳层的P4VP链段变为疏水, 塌缩在PtBA的核上形成内壳, PEG链段继续保持溶解状态, 与成核的PtBA连接并穿过塌陷的P4VP内壳, 形成胶束的冠, 由于PEG处于溶解状态, 其分子链间有比较大的空隙, 可以控制一些小分子通过, 在胶束的表面形成通道. 该通道类似于生物膜的蛋白通道, 可以控制PtBA核与外界进行能量或物质交换的速度. 以布洛芬为模型分子, 负载在胶束内进行药物控制释放研究的结果表明, 胶束表面的通道可以起到明显控制布洛芬释放速度的作用, 并且药物的释放速度与通道在胶束表面的比例成正比.     

Pressure Effects on Thermodynamics of Phase Behavior in Polystyrene/Methylcyclohexane Solutions

The calculations presented in this paper are based on the Sanchez-Lacombe(SL)lattice fluid theory.The interaction energy parameter,g12/k,required in this approach was obtained by fitting the cloud points of polystyrene(PS)/methylcyclohexane(MCH)polymer solutions under pressure.The SL lattice fluid theory was used to calculate the spinodals,the binodals,and the Flory-Huggins(FH)interaction parameter of the solutions.The calculated results show that the SL lattice fluid theory can describe the dependences of thermodynamics of PS/MCH solutions on temperature and pressure very well.However,the calculated enthalpy and the excess volume changes indicate that the Clausius-Clapeyron equation cannot be suitable to describe pressure effect on PS/MCH solutions.Further analysis on the thermodynamics of this system under pressure shows that the role of entropy is more important than the excess volume in the present case.     

聚(二甲基硅氧烷-co-甲氧基十二烷基硅氧烷)在棉纤维及其他模型表面的膜形貌及定向排列方式

用场发射扫描电镜(FESEM)、原子力显微镜(AFM)、光电子能谱(XPS)等仪器研究了棉纤维以及再生纤维素表面聚(二甲基硅氧烷-co-甲氧基十二烷基硅氧烷)(DDPS)的膜形貌及其定向排列方式.结果发现,在天然棉纤维以及再生纤维素模型表面,DDPS均能形成宏观上平滑、而微观形态学实则非均一的疏水性硅膜,表明DDPS的定向排列成膜方式为疏水性硅甲基、硅十二烷基朝外伸向空气,硅氧偶极键指向基质界面.     

锰卟啉/钒取代杂多酸配合物的合成、表征和性能研究

利用碘化四对(4-三甲氨基苯基)锰卟啉与钒取代杂多酸H5 PMo10 V2O40,在水溶液中,室温下反应合成了锰卟啉/钒取代杂多酸配合物,用红外和紫外光谱技术对其结构进行了表征,发现该配合物中包含着金属卟啉的环状结构与杂多酸的笼状结构,并且二者以化学键的形式键合在一起.以该化合物作为催化剂,以过氧化氢水溶液为氧化剂,在温和的条件下研究了锰卟啉/钒杂多酸配合物对苯的羟基化反应的影响,考察了催化剂的催化活性,探讨了催化剂对苯羟基化反应的活性中心.研究结果表明,杂多酸中的钒原子是其主要的催化活性中心,锰卟啉的存在可以有效地提高其催化活性.