H2S、HCN、PH3在FeO（100）表面吸附的密度泛函理论研究

基于密度泛函理论研究了H2S、HCN、PH3 在FeO(100)表面的吸附行为,其吸附位点主要考虑四个：Fe-top(铁顶位)、O-top(氧顶位)、Hollow(空位)、Bridge(桥位)。结果表明H2S吸附在O-top吸附位点的吸附能最小,为-1.02ev,即在该位点的吸附体系最稳定。当HCN吸附在FeO(100)表面时,各吸附位点的稳定顺序为Hollow>Fe-top>Bridge>O-top。PH3 的最稳定的吸附位点与H2S的一致,为O-top吸附位点,其吸附能为-1.11ev。当H2S吸附在O-top吸附位点时,H2S与FeO（100）表面的电荷转移量最多,说明该吸附构型最稳定,而HCN吸附在FeO(100)表面,在Hollow吸附位点的电荷转移量最多,也即该吸附位点属于最稳定吸附位点。PH3与FeO（100）表面之间的电荷转移量最多的吸附位点与H2S的相同。当H2S和PH3吸附在O-top吸附位点时,吸附后的态密度曲线整体向低能级移动,峰值降低,其吸附结构变得更加稳定。而HCN吸附在Hollow位点时,吸附后的HCN态密度曲线向能量更低的区域移动,吸附体系变得更稳定。     

pH/温度双重敏感性微凝胶的合成与应用

智能微凝胶是一类具有独特物理、化学性质的聚合物网络和溶剂组成的体系, 在众多的领域具有潜在的应用.本文介绍了近年来pH和温度双重敏感性微凝胶的研究概况、制备方法及其在药物控制释放、分离纯化和光子晶体方面的应用.     

Comparative study of spectroscopic properties of Er^3＋／Yb^3＋-codoped tellurite glass and fibres under 980nm excitation＊

A tellurite fibre of TeO_{2}－ZnO－La_{2}O_{3}－Li_{2}O glass codoped with 20000 ppm ytterbium and 5000 ppm erbium was fabricated by the suction casting and rod-in-tube technologies. The absorption spectrum of Er^{3+}/Yb^{3+} -codoped bulk glass has been measured. From the Judd－Ofelt intensity parameters, the spontaneous emission probability and radiative lifetime τ_{rad} of Er^{3+}:{}^{4}I_{13/2}→{}^{4}I_{15/2} transition for the bulk glass have been calculated. The emission fluorescence spectra and lifetimes around 1.5μm, and subsequent upconversion fluorescence in the range of 500－700nm were measured in fibres and compared with those in bulk glass. The changes in amplified spontaneous emission with fibre length and pumping power was also measured. It was found that the emission spectrum from erbium in fibres is almost twice as broad as the corresponding spectrum in bulk glass when pumped at 980nm.     

丙酮/1,2-丙二醇体系的化学诱导动态电子自旋极化研究

285 nm紫外激光照射下,用时间分辨电子自旋共振(TRESR)波谱仪研究了光解丙酮/1,2-丙二醇(ACETONE/PG)体系,得到了丙酮羰自由基(CH3)2.COH和1,2-丙二醇羰自由基CH3.COHCHOH的发射/吸收(E/A)型极化信号,这是一个自由基对(RPM)极化过程。在酸性环境中,溶剂分子的CIDEP谱明显减弱,(CH3)2.COH的CIDEP谱无明显变化,由此可判断光解ACETONE/PG体系是一个夺氢反应;在碱性环境中,(CH3)2.COH反应生成负离子基(CH3)2.CO-.     

Mathematical modeling of the dissolving and deposition processes during solution seepage in a porous medium

A mathematical model that describes solution seepage in a porous medium and the processes of mineral dissolving and secondary deposition is proposed. Self-similar solutions describing the motion of the leading and trailing fronts, that is, the boundaries of the complete-dissolving zone, are determined. The main features of the processes under consideration are studied and numerical calculations are performed. It is shown that the model describes well the experimental data on mineral leaching by sulfate solutions. The dynamics of mineral extraction from productive solutions in a medium with a nonuniformacidity distribution are investigated. It is shown that, in the elevated-PH zones, the mineral is dissolved; whereas, in the low-acidity zones, secondary deposition of the mineral occurs. In the latter case, after the work has been completed, the bed may contain more or less considerable mineral resources, depending on the extent of the low-PH zone and its proximity to an extraction well.     

六次PH曲线C~1 Hermite插值

本文讨论六次PH(pythagorean hodograph)曲线的Hermite插值问题.六次PH曲线可以分为两种类型,本文使用参数曲线的复数表示形式,分别给出这两类曲线的构造方法.在给定C1连续的Hermite条件下,需要指定一个自由参数以确定插值曲线,本文进一步阐述这个自由参数的几何意义.由于六次PH曲线是非正则曲线,对于第一类曲线,不易控制奇异点在曲线中的位置;而对于第二类曲线,奇异点可以在构造过程中显式地被指定,因此可以有效地避免其在特定曲线段上的出现.     

Characteristics of the hydrogen ion-sensitive field effect transistors with sol-gel-derived lead titanate gate

The sol-gel-derived lead titanate (PbTiO₃) membrane has been successfully applied as a pH sensitive layer to form the PbTiO₃ gate ion-sensitive field-effect transistor (ISFET). There exhibit the excellent quasi-Nernstian response of 56-59 mV pH⁻¹, good surface adsorption and anticorrosion characteristics via the C-V measurement of the EIS structure. At a specific pH concentration, the output and transfer characteristics are very similar to the behaviours of MOSFETs, and the ISFET model can be derived by the modified MOSFET model. As it operated in the nonsaturation region, there exhibits a linear pH response of about 56-59 mV pH⁻¹. On the other hand, as it operated in the saturation region, the pH response and linearity can be controlled by adjusting the V_GS values, e.g. the pH responses of −4.2, −24.8 and −31.3 μA pH⁻¹ and the correlation coefficients of 0.9491, 0.9995 and 0.9996 at V_GS=1, 3 and 5 V can be obtained, respectively. Besides, in order to get the best pH response and the minimized leakage current, the heat treatment temperature of the PbTiO₃ membrane must be limited between 350 and 450 °C.     

基于几何过程和位相分布休假的两部件并联可修系统的可靠性分析

主要以两不同型部件组成的并联可修系统为研究对象.在系统对失效相位存在记忆的基础上,考虑了修理工可单重休假且休假时间服从位相(PH)分布.每个工作部件均有可能因受到两种不同类型的故障而失效,且均"修复非新".在假定部件的工作时间,修理时间分别服从PH分布的几何过程和负指数分布的条件下,利用马尔可夫过程和矩阵分析的方法,对可修系统进行了可靠性分析,并给出了相应可靠性指标的数值算例.     

螺旋槽干气密封微尺度流动场的近似计算及其参数优化

应用PH线性化方法、迭代法,近似求解了螺旋槽内稳态微尺度流动场的非线性雷诺方程,求得了气体动压和速度分布的解析解。继而利用多目标优化方法构建了气膜刚度与泄漏量之比的协调函数,并对该目标函数进行了近似求解,获得了最佳的螺旋槽几何参数值。     

基于PH服务的工作休假排队的流体模型

研究了带有单重工作休假的M/PH/1排队系统驱动的流体模型.首先,通过拟生灭过程和矩阵几何解法分别得到无穷小生成元和驱动过程的稳态队长分布.其次,建立并分析流体模型,根据平衡方程给出流体模型的稳态联合分布函数满足的矩阵微分方程组,利用Laplace变换（LT）和Laplace-Stieltjes变换（LST）的方法,推导出平稳缓冲器（库）容量的空库概率表达式和稳态条件下的缓冲器（库）容量的均值表达式.最后,给出模型在移动自组织网络（Ad Hoc）中的应用,并通过数值例子讨论系统参数对系统性能指标的影响.