具有急慢性阶段的MSIS流行病模型阈值和稳定性结果

系统研究了具有急性和慢性两个阶段的MSIS流行病模型.由两节构成,第1节建立和研究了具有急慢性阶段的MSIS流行病模型;第2节在第1节的基础上建立和研究了具有慢性病病程的MSIS流行病模型.第1节的模型是四个常微分方程构成的方程组.第2节的模型既含有常微分方程,又含有偏微分方程.运用微分方程和积分方程中的理论和方法,得到了这两个模型再生数R0的表达式.证明了当R0<1时,无病平衡态是全局渐近稳定性,给出了各模型地方病平衡态的存在性和稳定性条件.     

An AFM, XPS and electrochemical study of molecular electroactive monolayers formed by wet chemistry functionalization of H-terminated Si(1 0 0) with vinylferrocene

Molecular electroactive monolayers have been produced from vinylferrocene (VFC) via light-assisted surface anchoring to H-terminated n- and p-Si(1 0 0) wafers prepared via wet chemistry, in a controlled atmosphere. The resulting Si-C bound hybrids have been characterized by means of XPS and AFM. Their performance as semiconductor functionalized electrodes and their surface composition have been followed by combining electrochemical and XPS measurements on the same samples, before and after use in an electrochemical cell. White-light photoactivated anchoring at short (1 h) exposure times has resulted in a mild route, with a very limited impact on the initial quality of the silicon substrate. In fact, the functionalized Si surface results negligibly oxidized, and the C/Fe atomic ratio is close to the value expected for the pure molecular species. The VFC/Si hybrids can be described as (η⁵-C₅H₅)Fe²⁺(η⁵-C₅H₄)-CH₂-CH₂-Si species, on the basis of XPS results. Electrochemical methods have been applied in order to investigate the role played by a robust, covalent Si-C anchoring mode towards substrate-molecule electronic communication, a crucial issue for a perspective development of molecular electronics devices. The response found from cyclic voltammograms for p-Si(1 0 0) functionalized electrodes, run in the dark and under illumination, has shown that the electron transfer is not limited by the number of charge carriers, confirming the occurrence of electron transfer via the Si valence band. The hybrids have shown a noticeable electrochemical stability and reversibility under cyclic voltammetry (cv), and the trend in peak current intensity vs. the scan rate was linear. The molecule-Si bond is preserved even after thousands of voltammetric cycles, although the surface coverage, evaluated from cv and XPS, decreases in the same sequence. An increasingly larger surface concentration of Fe³⁺ at the expenses of Fe²⁺ redox centers has been found at increasing number of cv’s, experimentally associated with the growth of silicon oxide. Surface SiO⁻ groups from deprotonated silanol termination, induced by the electrochemical treatments, are proposed as the associated counterions for the Fe³⁺ species. They could be responsible for the observed decrease in the electron transfer rate constant with electrode ageing.     

纳米氧化钛-乙二醇溶胶溶液的研究

选用了钛酸丁酯、硬脂酸和乙二醇作为表面活性剂，采用表面化学修饰和表面物理修饰2种方法修饰纳米氧化钛，然后分散在乙二醇溶剂中形成溶胶溶液．并通过红外光谱仪、紫外分光计、原子力显微镜，分析了表面化学修饰后的纳米氧化钛表面化学结构的变化，观测了纳米氧化钛溶胶在乙二醇溶剂中稳定性．试验结果表明表面活性剂与纳米氧化钛的表面的不饱和键之间形成了新的化学结构，粒子表面可能接枝上有机长链，提高了纳米粒子在溶剂中的相容性．表面化学修饰后的纳米氧化钛与乙二醇溶剂形成了较稳定的溶胶体系，而且纳米溶胶粒径较小．表面活性剂添加量与纳米粒子添加量控制在(1～1．2)：1时，可以获得纳米溶胶粒径较小，同时溶胶稳定性较好的纳米氧化钛-乙二醇溶胶体系．     

Numerical simulation of thermally and chemically nonequilibrium flows and heat transfer in underexpanded induction plasmatron jets

The results of numerical simulation are presented for thermally and chemically nonequilibrium air plasma flows in a plasmatron discharge channel and underexpanded dissociated and partially ionized air jets flowing past a cylindrical model with a blunt leading edge and cooled copper surface under the experimental conditions realized in a VGU-4 100 kW induction plasmatron (Institute for Problems in Mechanics of the Russian Academy of Sciences) (see, for example, [1, 2]). The nonequilibrium excitation of the vibrational degrees of freedom of the molecules in the modal approximation and the difference between the electron and translational heavy-particle temperatures are taken into account in the calculations. The calculated data on the heat transfer and pressure at the stagnation point are compared with the results obtained within the framework of the thermally equilibrium model. Comparison with the experimental data obtained in the Institute for Problem in Mechanics of the Russian Academy of Sciences (Laboratory for interaction between plasma and radiation and materials) and kindly provided for comparison purposes gives satisfactory agreement.     

Fiber-Optic Chemical Sensor for Detection of NO2 Using Poly (3-Octylthiophene)

A fiber-optic chemical sensor (FOCS) for detection of nitrogen dioxide (NO₂) molecules is reported. The FOCS presents an optropode structure because of the transmission properties of the sensitive material. The NO₂ FOCS is activated by using the semiconductor polymer: regioregular head-to-tail poly(3-octylthiophene-2,5-diyl). The operation wavelength of the sensor is 543.5 nm such that a simple LED and detector can be used for the design of this device. The sensor response decreases after each exposure, demonstrating the reduction in sensitivity as well as irreversibility lower than 5%. However, its properties such as rapid response, high selectivity, high sensitivity (0.43 ± 0.01 muW/ppm), hygroscopic properties, and its operation at room temperature make this kind of FOCS a good alternative for NO₂ toxic gas detection.     

A new approach to obtain the non-Condon factors in closed form for two one-dimensional harmonic oscillators

A simple algebraic approach to calculate general Franck-Condon overlaps is extended to evaluate non-Condon factors for two one-dimensional harmonic oscillators. The method is based on the use of eigenstates of the harmonic oscillator annihilation operator which allows to obtain in terms of a multi-dimensional Hermite polynomial the overlap of harmonic oscillator functions associated with different Born-Oppenheimer potentials. The presented approach is self-contained, only basic concepts of quantum mechanics associated with the harmonic oscillator system are needed. The obtained expression for the Franck-Condon overlaps is similar to the Ansbacher’s formula and equivalent to the one calculated by Malkin and Man’ko. However our final expression has the advantages that only real numbers are involved and it is straightforward to get the limit case of equal frequencies. Concerning the non-Condon factors two approaches leading to different formulas are considered, both of which reduce to triple sums of products of three Hermite polynomials.     

A quantum chemical study on structure of 1,2-bis(diphenylphosphinoyl)ethane and phenol cocrystal

The cocrystal of 1,2-bis(diphenylphosphinoyl)ethane (DPPEO) with phenol (1:1) were studied theoretically with AM1, PM3, MNDO and MINDO/3 semi-empirical methods to elucidate its structure. The bond lengths and angles from theoretical studies of molecule DPPEO/phenol (1:1) were found to be as expected. Theoretical results, concerning with intermolecular van der Waals forces in cocrystal, were compared with the previously obtained experimental data and AM1 results were found to be the best fit for bond lengths and angles of DPPEO/phenol.     

用PM3量化参数预测多氯代二苯并呋喃的logKow

从现有的PCDFs分子的正辛醇 /水分配系数 (logKow)实验数据出发 ,建立定量结构 性质关系方程(QSPR) .采用G98W程序包中的PM3方法对 13 5个多氯代二苯并呋喃 (PCDFs)分子和二苯并呋喃进行了优化计算 ,作业命令为 #pPM3optfreqscf(conver =9) ,以计算所得的分子轨道能量、碳原子电荷作为PCDFs分子结构描述符 ,运用多元线性回归技术建立了PCDFs的logKow与分子结构描述符的四元方程 ,最优相关系数为 0 .95 0 7,标准偏差为 0 .173 7,经检验该模型的稳健性好 ,并对未有实验数据的 85个PCDFs的logKow进行预测     

Quantum Properties of Odd Excited Negative Binomial States of the Radiation Field

The odd excited negative binomial states are introduced using the photon creation operator by repeated application on negative binomialstates. These states interpolate between the odd displaced Fock states and the odd excited pure thermal states. In this paper both squeezing phenomena (normal squeezing and amplitude squared squeezing) are discussed. Besides discussion of the Glauber second-order correlation function, investigations are carried out for the quasi-probability distribution functions (Wigner function and Q-function). Finally the Pegg-Barnett phase probability distribution is computed for these states.     

Stationary entanglement between macroscopic mechanical oscillators

We show that the optomechanical coupling between an optical cavity mode and two movable cavity mirrors is able to entangle two different macroscopic oscillation modes of the mirrors. This continuous variable entanglement is maintained by the light bouncing between the mirrors and is robust against thermal noise. In fact, it could be experimentally demonstrated using present technology. Received 2 September 2002 / Received in final form 10 October 2002 Published online 7 January 2003