Influence of silicon and carbon excesses on the aqueous dispersion of SiC nanocrystals for optical application

The dispersion behaviour of laser-synthesized silicon carbide nanoparticles (npSiC) in water is investigated by photon correlation spectroscopy (PCS). With regard to previous studies and due to an application in the processing of optical materials, this paper concerns low npSiC contents (from 0.05 to 10 wt.%). The role played by the particle surface state is be pointed out through the consideration of stochiometric (C/Si = 1), carbon-rich (C/Si > 1) and silicon-rich (C/Si < 1) nanopowders. Suspensions made from stoichiometric and silicon-rich nanopowders are easily dispersed and stable with time. The PCS measurements reveal in this case more than 95% of isolated nanoparticles, pointing out the key role of the oxidized layer covering the grain of silicon-rich samples. At the opposite, the carbon-rich powders are hardly dispersed in pure water, correlated with the presence of a relatively inert graphitic carbon layer at the grain surface. However, by addition of a commercial polymeric dispersant, all nanopowders induce high quality suspensions. In particular, the carbon-rich samples are easily dispersed, and possible dispersion mechanisms of npSiC in presence of a polymeric surfactant are discussed. The influence of the npSiC loading and the time evolution of the suspension are also presented. By considering stoichiometric, as well as carbon- and silicon-rich samples, this paper demonstrates the possibility to achieve high quality dispersions of SiC nanoparticles, whatever the chemical composition of the powder, as an easy step for optical material processing.This revised version was published online in August 2005 with a corrected issue number.     

岩石特性对超声波传播速度的影响

通过声速测定实验仪及数字示波器等装置测量了超声波在岩石中的传播速度,并对岩石成分、孔隙度、吸水量以及岩石温度等参数对超声波传播速度的影响进行了分析.结果表明,岩石孔隙度对超声波传播速度影响较大.同时,超声波传播速度随着岩石吸水量和环境温度的升高,传播速度呈现增大趋势.     

DLS粒度测量实验中噪声的影响与克服

噪声是始终存在于动态光散射实验的整个测量过程中,噪声的大小直接影响测量系统的信噪比大小与测量结果的准确性。根据噪声产生的物理原因,将动态光散射实验中的噪声分为外部环境噪声和设备内部噪声两大类。为了最大限度的降低噪声提高测量的准确性,在详细探讨影响动态光散射粒度测量实验中各种噪声的来源的基础上,分析了噪声对实验结果的影响,并提出相应解决的办法。     

蜂毒肽浓度和磷脂组分对巨囊泡泄露的影响

蜂毒肽作为一种广谱抗菌肽已经得到广泛认知,用蜂毒肽构建载药体系攻击癌细胞研究正在兴起.基于仿生物膜模型探索其破坏机理,可以避免潜在活性细胞过程的影响.在此,我们选用细胞尺寸的单层巨囊泡膜模型,可在光学显微镜下直接观察和操作,获得仿正常细胞膜和仿癌细胞膜在不同蜂毒肽浓度刺激下的响应.研究得出,低浓度蜂毒肽诱导囊泡泄露实验表明中性磷脂囊泡以孔模式为主泄露,负电性磷脂囊泡以爆裂模式为主泄露;高浓度蜂毒肽诱导囊泡泄露实验表明负电性磷脂相较于中性磷脂可延迟蜂毒肽作用效果;蜂毒肽色氨酸残基荧光光谱表明囊泡膜表面蜂毒肽吸附量以及泄露模式依赖于磷脂组分.此外,推断了蜂毒肽对不同组分磷脂膜的破坏作用模型.研究为蜂毒肽在肿瘤细胞的作用机制及其衍生物的优化设计提供参考.     

重频XeF(C-A)蓝绿激光器中XeF2浓度的监测与控制

 介绍了采用光谱吸收法实时监测重复频率XeF(C-A)蓝绿激光器中XeF₂气体浓度的原理和控制XeF₂气体浓度的方法；给出了监测窗中XeF₂气体浓度与激光器气室中的XeF₂气体浓度之间的关系，获得了在不同主/载气路气流量条件下激光器气室中XeF2气体浓度值，通过调节主/载气路的气流量实现了对激光器腔室内XeF₂气体浓度的控制，保证了XeF(C-A)蓝绿激光器1 Hz重频运行。     

纳米颗粒光子相关测定中基线方法对测量结果的影响

从光场自相关函数(Autocorrelation Function,ACF)与光强ACF、衰减率分布函数的关系,推导了基线值对有效直径、分散度的影响.分析了决定基线值取值的两种基线方法,指出基线方法不同,基线值也会不同.对三种纳米颗粒样品的相关实验也证明基线值越大,颗粒的有效直径、分散度越小.分析了自动斜率法的测量结果较稳定的原因.     

三七炮制前后的红外光谱分析研究

采用红外光谱并结合二维相关红外光谱法对生三七和熟三七进行了研究,分析比较三七炮制前后化学成分的变化。在一维红外谱图上,生三七和熟三七在1 200~400cm-1波段内的相似度较高,不同的是熟三七在2 925,2 855,1 746,1 460,1 376,1 158cm-1出现了花生油的特征峰,这是由于采用煎炸法炮制三七所残留的花生油所引起的。两者药效组分的特征差异在二维相关红外谱图上显示得更为明显和直观,在1 400~1 700cm-1区域,生三七仅在1 650cm-1附近有一个强自动峰,而熟三七在1 469和1 640cm-1附近均有自动峰。在1 120~1 250cm-1区域,生三七和熟三七共有1 139(1 137),1 194(1 196),1 219(1 221)cm-1三个自动峰,不同的是各自动峰的相对强度发生了变化,生三七经炮制后1 139cm-1峰的增强,而1 194cm-1峰减弱。二维相关红外光谱的变化规律说明了三七药材在炮制的过程中发生的主要变化是黄酮、糖类、皂苷等成分的分解。该方法揭示了三七在炮制过程中所发生的物理化学变化过程,从红外光谱的角度解释了三七"生消熟补"的药理。     

Effect of concentration gradient on the first-, second- and third-order polarizabilities

The effect of concentration gradients on the polarizabilities of chemical systems of mixed composition is examined theoretically. It is found that the first-, second- and third-order polarizabilities all exhibit linear dependences on concentration gradient but nonlinear dependences on dielectric gradient. Furthermore, sample calculations imply that under selected conditions, concentration and/or dielectric gradient effects should be readily observable experimentally and indeed, under some conditions could dominate the experimental response. Examples of systems that might display the predicted effects include compositionally graded polymer, semiconductor, composite films, as well as thermally graded liquid mixtures and colloidal suspensions.     

高度计风速与辐射计风速的变分融合研究

为实现高度计风速与辐射计风速的融合, 采用Kriging插值方法将辐射计风速插值到高度计路径得到高度计风速观测算子, 建立高度计风速与辐射计风速融合的代价函数; 利用变分方法求解分析风速, 得出融合结果. 分别在仅高度计风速有误差、 仅辐射计风速有误差和两者都有误差的情况下开展了模拟试验, 结果表明变分融合结果更接近于理想风速, 尤其在高度计路径上更为明显. 选取Jason-1高度计第241周期风速资料和与其时空匹配的国防气象卫星计划 F17上所搭载的专用传感器微波成像仪辐射计风速资料开展了实例试验, 结果表明融合后的结果更加接近于浮标观测结果, 证实了变分融合方法的有效性. 经统计, 上述高度计和辐射计资料有60%时空匹配, 开展风速融合有重要的理论及应用价值. 该变分融合方法可应用于我国海洋二号卫星所载高度计与辐射计风速反演结果的融合. 关键词： 高度计 辐射计 风速 融合     

Effects of concentration and annealing on the performance of regioregular poly（3-hexylthiophene） field-effect transistors

This paper investigates the effects of concentration on the crystalline structure, the morphology, and the charge carrier mobility of regioregular poly(3-hexylthiophene) (RR-P3HT) field-effect transistors (FETs). The RR-P3HT FETs with RR-P3HT as an active layer with different concentrations of RR-P3HT solution from 0.5~wt% to 2~wt% are prepared. The results indicate that the performance of RR-P3HT FETs improves drastically with the increase of RR-P3HT weight percentages in chloroform solution due to the formation of more microcrystalline lamellae and bigger nanoscale islands. It finds that the field-effect mobility of RR-P3HT FET with 2~wt% can reach 5.78× 10^-3~cm²/Vs which is higher by a factor of 13 than that with 0.5~wt%. Further, an appropriate thermal annealing is adopted to improve the performance of RR-P3HT FETs. The field-effect mobility of RR-P3HT FETs increases drastically to 0.09~cm²/Vs by thermal annealing at 150~℃, and the value of on/off current ratio can reach 10^4.     

Steric effect of methyl, methoxy, and ethyl substituents on the excimer formation of naphthalene on Al2O3(0 0 0 1)

Structural relaxation of molecules on surfaces can be monitored by observing the spectral evolution as increasing amount of thermal energy is made available. Naphthalene forms excimers in the excited state when amorphously prepared, but relaxes to a more ordered state when heated. Substituent groups on the naphthalene can substantially alter the available pathways during the thermally induced structural relaxation, and is reflected in the formation of excimer or trap fluorescence. A general correlation was determined for the naphthalene substitution with methyl, methoxy, and ethyl groups on the 1- and 2-positions with the pathway taken by the molecular adlayer.     

颗粒尺寸分散度对颗粒体系力学和几何结构特性的影响

利用颗粒离散元方法, 研究了由2048个光滑颗粒组成的体系在各向同性压缩条件下, 颗粒尺寸分散度s对颗粒体系力学和几何结构特性的影响. 结果表明: 配位数、剪切模量、静态结构因子以及取向序关联函数等都随分散度的变化而变化, 而力的累积分布不受分散度的影响. 其中, 单分散体系(亦即s=0)的静态结构因子在低波数区域(亦即低k)遵从幂律标度S(k)∝0.2k^-4/3, 各分散度下取向序关联函数峰值符合e指数变化规律g₆(r)∝ae^-r/ξ₆, 其中序关联长度ξ₆随分散度s增大而减小. 关键词： 颗粒物质 尺寸分散度 结构因子 取向序关联     

Effects of pressure rise rate on laminar flame speed under normal and engine-relevant conditions

Laminar flame speed (LFS) is one of the most important physicochemical properties of a combustible mixture. At normal and elevated temperatures and pressures, LFS can be measured using propagating spherical flames in a closed chamber. LFS is also used in certain turbulent premixed flame modelling for combustion in spark ignition engines. Inside the closed chamber or engine, transient pressure rise occurs during the premixed flame propagation. The effects of pressure rise rate (PRR) on LFS are examined numerically in this study. One-dimensional simulations are conducted for spherical flame propagation in a closed chamber. Detailed chemistry and transport are considered. Different values of PRR at the same temperature and pressure are achieved through changing the spherical chamber size. It is found that the effect of PRR on LFS is negligible under the normal and engine-relevant conditions considered in this study. This observation is then explained through the comparison between the unsteady and convection terms in the energy equation for a premixed flame.     

Multiwavelength procedure for determining the concentration of near-ground ozone by an optical open-path measurement system

We present a theoretical basis and develop a convenient mathematical formalism for carrying out a multiwavelength procedure for measuring the concentration of near-ground ozone by the differential optical absorption spectroscopy (DOAS) open-path method. We have analyzed the effect on the measurement results from the difference between the spectra of the probing radiation traveling on the measurement path and the reference path. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 2, pp. 256–261, March–April, 2008.     

基于激光吸收光谱技术的燃烧场气体温度和浓度二维分布重建研究

基于可调谐半导体激光吸收光谱技术和代数迭代算法（ART）实现燃烧场温度和浓度二维分布重建．采用时分复用技术,在1kHz扫描频率下分别扫描H2O的两条吸收谱线,7205．25和7416．05cm^-1,对温度分布在300-1100K范围内的气体温度场进行了重建．研究了投影角度和投影光线数目对温度场和浓度场重建结果的影响,并将温度场重建结果与热电偶测量结果进行比较,结果表明,采用四个投影方向时,温度场重建结果与热电偶测量结果除中心低温区域外基本符合．当光线数目减少时,通过在两条光线间增加虚拟光线,代入到迭代算法中,增加光线数目,提高了温度场和浓度场的重建效果．但此方法受到燃烧场温度梯度大小的影响,即在两条光线之间气体温度梯度较大,增加虚拟光线提高温度场重建效果不明显．     

中小尺寸CdS和CdTe团簇结构与电子性质的第一性原理研究

基于密度泛函理论(DFT)的第一性原理方法(DMOL3程序),在广义梯度近似(GGA)下,计算了中小尺寸II~VI族(CdS)n和(CdTe)n团簇的基态结构、最高占据轨道(HOMO)和最低未占据轨道(LUMO)的能隙、结合能等,比较了(CdS)n和(CdTe)n两种团簇的基态结构,能隙与结合能随尺寸变化关系的差异等.     

土壤湿度对多环芳烃荧光特性的影响

荧光光谱技术已被用于检测土壤中多环芳烃。但土壤湿度对多环芳烃的荧光强度产生很强的干扰,这对于荧光光谱技术的土壤多环芳烃快速实时检测技术的发展无疑是一种挑战。为了研究土壤湿度对多环芳烃荧光特性的影响,分别配置了八个不同湿度(含水量5%～40%,间隔5%)的菲土壤样品。采用美国PE公司的LS-55荧光分光光度计对不同湿度含量的菲土壤样品进行了检测,得到不同湿度含量下的一维动态荧光谱,以土壤湿度为外扰,研究了其二维相关荧光光谱特性,发现菲土在386,408和432 nm处荧光强度随着土壤中湿度的增大而增强,而333 nm处瑞利散射光强度却在减小,提出通过建立菲荧光强度、瑞利散射光强度与土壤湿度之间的关系,有可能实现土壤湿度对菲荧光强度影响的校正。同时,也研究了土壤湿度对定量分析菲浓度标准曲线的影响,指出土壤湿度极大影响着精准定量分析菲浓度标准曲线的建立。     

乳菇和红菇的红外光谱及其二维相关红外光谱的分析与鉴别

采用傅里叶变换红外光谱原始谱、二阶导数光谱以及二维相关谱的三级鉴定方法,对红菇属和乳菇属六种蘑菇进行了鉴别分析。六种样品的原始光谱吸收峰非常相似,主要为蛋白质和碳水化合物的吸收组成,但在各样品吸收峰强度、峰形和峰位上仍有微小差异。对其进行二阶导数分析,在二阶导数谱中,1 800～1 400和1 200～800 cm-1范围内的吸收峰强度、位置、峰形状显示出明显差异。二维相关红外光谱提高了光谱的分辨率;对六种蘑菇样品进行二维相关红外光谱分析,发现在1 690～1 420 cm-1范围内,三种乳菇出现了3个明显的自动峰,另外三种红菇出现了4个自动峰,而且自动峰和交叉峰位置、强度均不同;在1 110～920 cm-1二维光谱范围内,六种蘑菇的自动峰和交叉峰的数量、位置和强度也都不同;说明不同样品中蛋白质和糖类化合物的显著不同。结果表明：应用红外光谱、二阶导数谱和二维相关红外光谱三级鉴定的技术可以快速有效地分析和鉴别辣乳菇、绒白乳菇、香乳菇、稀褶红菇、变绿红菇和近似酒红菇。该多级鉴定的方法对于分类鉴别蘑菇是一种快速、准确、有效的方法。     

基于二维相关荧光谱土壤中PAHs检测方法研究

传统荧光光谱技术已被用于土壤中多环芳烃(PAHs)的检测,但由于土壤体系的复杂性、PAHs污染物的多样化和微量化,传统的荧光光谱技术无法有效提取土壤中PAHs的特征信息。为了解决上述问题,提出并建立一种基于二维相关荧光谱土壤中多环芳烃的检测方法。以土壤中典型的多环芳烃蒽和菲为研究对象,配置38个蒽菲混合标准土壤样品(蒽和菲的浓度范围均为0.000 5～0.01 g·g-1),在激发波长265～340 nm,发射波长350～500 nm范围内采集了所有样品的三维荧光谱。以激发波长为外扰,对外扰变化的动态一维荧光谱进行相关计算,得到每一样品的同步二维相关荧光谱。研究了浓度均为0.005 g·g-1蒽菲混合土壤样品的三维荧光谱和同步二维相关荧光谱特性,在同步谱主对角线398,419,444和484 nm处存在自相关峰,其中,398和484 nm荧光峰来自土壤中的菲,419和444 nm荧光峰来自土壤中的蒽;在主对角线外侧,蒽和菲两组荧光峰之间存在负的交叉峰,进一步验证了其来源不同;同时,在(408,434) nm和(434,467) nm处出现交叉峰,其中408和434 nm荧光峰来自土壤中的菲,467 nm荧光峰来自土壤中的蒽。指出与三维荧光谱表征的信息相比,二维相关荧光谱不仅能提取更多的特征信息(408和467 nm的特征峰在三维荧光谱中未被表征),而且还能提供荧光峰之间的相互关系,对其来源进行有效解析。在上述研究二维相关荧光谱特性的基础上,基于同步相关谱矩阵(38×151×151)建立了定量分析土壤中蒽和菲污染物浓度的多维偏最小二乘(N-PLS)模型,对蒽的校正和预测相关系数分别为0.986和0.985,校正均方根误差(RMSEC)和预测均方根误差(RMSEP)分别为4.33×10-4和5.55×10-4 g·g-1;对菲的校正和预测相关系数分别为0.981和0.984,RMSEC和RMSEP分别为5.20×10-4和4.80×10-4 g·g-1。为了比较,基于三维荧光光谱矩阵(38×16×151)建立了定量了分析土壤中蒽和菲的N-PLS模型,对蒽的校正和预测相关系数分别为0.981和0.972,RMSEC和RMSEP分别为5.09×10-4和6.74×10-4 g·g-1;对菲的校正和预测相关系数分别为0.957和0.956,RMSEC和RMSEP分别为7.36×10-4和7.77×10-4 g·g-1。指出,对于土壤中的蒽和菲检测,基于二维相关荧光谱的N-PLS模型的相关系数r,RMSEC和RMSEP都要优于基于三维荧光谱的N-PLS模型。研究结果表明：所提出和建立的方法-二维相关荧光谱直接检测土壤中PAHs污染物不仅可行,而且能提供更好的分析结果。该研究为激光诱导荧光结合相关谱技术现场直接检测土壤中多环芳烃污染物提供了理论和实验基础,具有较好的应用前景。     

可调谐二极管吸收光谱痕量气体浓度算法的研究

基于可调谐二极管激光吸收光谱学的大气痕量气体在线监测分析仪具有高灵敏、快速响应和高选择性的特点。分析了可调谐二极管激光吸收光谱(TDLAS)二次谐波信号的特征,以高浓度谐波信号作为标准,采用线性最小二乘拟合的方法对谐波信号进行数值拟合,高精度的反演出了痕量气体浓度值。并对标准信号和检测信号之间的相关系数和浓度反演规律进行了研究。以甲烷气体的测量信号和浓度反演为例,验证了算法。