DFT Study on the Correlation between Thermodynamical Property and Molecular Structure of Polybromo-phenoxathiin

Complete optimization was conducted for 136 polybromo-phenoxathiin congeners(PBPTs) on the B3LYP/6-31G* level with Gaussian 03 program.The structural parameters and thermodynamical parameters of each molecule were obtained under the standard state of 298.15 K and 1.013×105 Pa.Reverse linear regression was employed to establish the quantitative structure-property correlation models between heat capacity at constant volume(CVθ),entropy(Sθ),standard heat of formation(△fHθ) and standard free energy of formation(△fGθ) of PBPTs and the structural parameters(the most negative atomic charge(q-) and molecular average polarizability(α)).These models presented better correlations(r20.97).And they were validated by variance inflation factor(VIF) and t-test,which can better explain the regularity of thermodynamical property of PBPTs,and has good stability and great prediction ability.     

壳聚糖维生素C复合物的合成及性能

通过离子间静电引力作用合成了壳聚糖维生素C复合物。采用红外光谱和差热分析测试技术表征了复合物的结构。溶解度测定结果表明,该复合物具有水溶性。邻苯三酚自氧化速率测定结果表明,该复合物对.O2-的清除作用优于壳聚糖。     

流动注射化学发光抑制法测定阿魏酸钠

提出了Fe2+-H2O2-亚甲基蓝化学发光新体系并用于阿魏酸钠的测定。实验发现,在酸性介质中,Fe2+-H2O2体系可与亚甲基蓝反应产生极强的化学发光,阿魏酸钠对此化学发光具有显著的抑制作用。据此,结合流动注射技术,建立了阿魏酸钠化学发光分析新方法。研究了影响化学发光强度的因素,化学发光信号的降低值(ΔI)与阿魏酸钠浓度在4.5×10-6～4.5×10-5mol/L范围内呈良好的线性关系,方法的检出限为7.0×10-7mol/L。对4.8×10-6mol/L的阿魏酸钠进行了11次平行测定,其RSD=0.8%,该法已用于片剂中阿魏酸钠含量的测定。     

电感耦合等离子体-质谱法测定高纯ZnS粉末中痕量金属杂质

建立了用电感耦合等离子体-质谱(ICP-MS)法测定高纯ZnS粉末中Mg、Al、Mn、Ni等11种痕量金属杂质含量的方法。样品溶解后可直接进样分析。加标回收率为89%~120%。各金属杂质均为10 ng/mL的混合标准溶液平行7次进样的相对标准偏差均小于5%。方法能够满足纯度在99.99%~99.999%范围的ZnS样品中杂质测定的需要。     

数字微镜近红外光谱仪光学系统设计与实验

针对传统光谱仪体积大、成本高、检测速度慢、需样品前处理等不足,提出了利用数字微镜面阵(DMD)实现光谱谱面分割分时选通的近红外光谱仪光学系统.首先,对比传统光路介绍单探测器微型光谱仪系统测量原理;然后结合DMD特性提出光路方案,根据几何光学原理进行初步光学元件选型和光路结构设计,利用ZEMAX光学软件对光路进行仿真,确...     

关于超音速多普勒效应的思考

超音速多普勒效应由于其不便于测量,基本停留在纯理论分析阶段,导致人们产生了一些错误的观点.本文通过逻辑分析、计算机软件模拟等手段,对超音速多普勒效应的音频时序进行了分析研究,找出了错误观点产生的原因,作出了相应的解释,并对错误观点进行了修正,提供了解决方案.     

爆轰法合成碳包覆镍纳米颗粒的研究

 采用自制的负氧平衡复合炸药前驱体,在密闭容器中充氮气保护下爆轰合成了碳包覆镍纳米颗粒。利用X射线衍射、X射线荧光、透射电镜和拉曼光谱等技术,对爆炸产物的组成成分、结构形貌等进行了观测。结果表明,爆轰产物主要由具有面心立方结构的镍晶核和碳元素构成,此外还含有其它微量元素;合成的纳米颗粒呈球形或椭球形状,颗粒尺寸主要分布在10~25 nm范围,包覆的碳壳厚度约1~2 nm,核壳结构完备。结合观测结果,对爆轰法合成碳包覆纳米颗粒的形成机制进行了简单的讨论。     

舰船辐射噪声模拟发射系统的设计研究

本文依据典型舰船噪声的频谱特性规律,设计研制了一套舰船辐射噪声发射系统实验样机,包括信号结构设计、换能器选择配置、系统构成设计等,本噪声模拟发射系统具有100Hz～16kHz频带噪声的模拟发射功能,包括线谱、连续谱成分,频谱分配和谱线形式可调可控,信号总声源级动态范围达60dB。     

Study of radiation background at the north crossing point of the BEPCⅡ in collision mode

Understanding the radiation background at the north crossing point (NCP) in the tunnel of BEPCII is crucial for the performance safety of the High Purity Germanium (HPGe) detector, and in turn of great significance for long-term stable running of the energy measurement system. Therefore, as the first step, a NaI(Tl) detector is constructed to continuously measure the radiation level of photons as background for future experiments. Furthermore, gamma and neutron dosimeters are utilized to explore the radiation distribution in the vicinity of the NCP where the HPGe detector will be located. Synthesizing all obtained information, the shielding for neutron irradiation is studied based on model-dependent theoretical analysis.