Li(2P)+H_2→LiH+H反应截面的测量

在样品池条件下,用脉冲激光670.8 nm线激发Li原子基态至2P态,测量了的反应碰撞能量转移截面。池温保持在888 K,Li原子密度为10~(13)cm~(-3)量级,而H_2气压控制在60～300 Pa之间,测量时间分辨荧光光谱,它由两部分组成,在脉冲激光激发的瞬间(不超过10 ns),荧光迅速增强至最大值;激发结束后,荧光强度按指数衰减,由衰减曲线得到2P态原子在不同H_2气压下的有效寿命。根据Stern-Volmer方程,有效寿命与H_2气压成线性关系,由该直线的斜率给出了总的猝灭截面(25.1±4.0)×10~(-16)cm~2,而从直线的截距得到辐射寿命为(270±54)ns。总的猝灭截面是反应与非反应碰撞截面之和,由在不同H_2气压下记录的瞬态(10 ns)荧光快速增强信号得到反应截面为(0.2±0.1)×10~(-16)cm~2,虽只占总猝灭截面的1/125,但它在Li(2P)+H_2的碰撞传能中所起的作用是不能略去的。     

Microstructure, bonding strength and thermal shock resistance of ceramic coatings on steels prepared by plasma electrolytic oxidation

Ceramic coatings were successfully prepared on steel by plasma electrolytic oxidation (PEO) in aluminate electrolyte and silicate electrolyte, respectively. The microstructure of the coatings including surface morphology, phase and element composition were studied by scanning electron microscopy (SEM) and X-ray diffraction (XRD), respectively. The bonding strength between the ceramic coating and the substrate was tested using different methods including tensile tests and shearing tests. The thermal shock resistance of the coatings was also evaluated. The results indicated that coatings obtained in both electrolytes were porous and coarse. The average diameters of the pores were below 10 μm. PEO coatings obtained in aluminate electrolyte were composed of Fe₃O₄ and FeAl₂O₄, while those obtained in silicate electrolyte were in a noncrystal state. PEO coatings obtained in aluminate electrolyte showed similar change trend of tensile strength and shearing strength with increasing treating time, namely, a relatively high values with middle time treating and low value with short and long time treating. The best coating was the samples treated with 30 min, whose tensile strength was 20.6 MPa and shearing strength was 16 MPa. The tensile strength and shearing strength of coatings obtained in silicate electrolyte were not strongly influenced by the treating time, the values of which were range in 14 ± 2 MPa and 11 ± 2 MPa, respectively. Coatings obtained in both electrolytes showed the best thermal shock resistance with middle time treating. Coatings obtained in silicate electrolyte show a little better thermal shock resistance than those obtained in aluminate electrolyte.     

Computational study of plasma-surface interaction in plasma-assisted technologies

The influence of the unevenness of substrates immersed into plasma important for plasma-based treatment of materials were studied by computer experiment. The role of both substrate properties and plasma parameters was investigated. For this analysis the combination of multidimensional fluid modelling and particle simulation was used. The fluid part of our model consisted of continuity equations for all charged species, energy balance equation for electrons and Poisson equation. The basic scattering processes were also included. The particle simulation technique was used both for the calculation of electron energy distribution function and for the derivation of quantities characterising plasma-surface interaction. This approach enabled us to study in detail the structure of the sheath and presheath near metal substrates with realistic geometries and finite dimensions. The main attention was devoted to the influence of substrate geometry in both macroscopic and microscopic spatial scales on the local electric fields in plasma.     

Electromagnetic field distributions in waveguide-based axial-type microwave plasma source

We present results from simulations of 2D distributions of the electromagnetic field inside a waveguide-based axial-type microwave plasma source (MPS) used for hydrogen production via methane reforming. The studies are aimed at optimization of discharge processes and hydrogen production. We derive equations for determining electromagnetic field distributions and next determine the electromagnetic field distributions for two cases – without and with plasma inside the MPS. For the first case, we examine the influence of the length of the inner conductor of the coaxial line on electromagnetic field distributions. We have obtained standing wave patterns along the coaxial line and found resonances for certain positions of the coaxial line inner conductor. For the case with plasma inside the MPS, we perform calculations assuming that distributions of plasma parameters are known. Simulations are done for several values of maximum electron density. We have found that for values of electron density greater than strong skin effect in the plasma is observed. Consequently, plasma may be treated as an extension of the inner conductor of the coaxial line. We have used FlexPDE software for the calculations.     

AEGIS-K code for linear kinetic analysis of toroidally axisymmetric plasma stability

A linear kinetic stability code for tokamak plasmas: AEGIS-K (Adaptive EiGenfunction Independent Solutions-Kinetic), is described. The AEGIS-K code is based on the newly developed gyrokinetic theory [L.J. Zheng, M.T. Kotschenreuther, J.W. Van Dam, Phys. Plasmas 14 (2007) 072505]. The success in recovering the ideal magnetohydrodynamics (MHD) from this newly developed gyrokinetic theory in the proper limit leads the AEGIS-K code to be featured by being fully kinetic in essence but hybrid in appearance. The radial adaptive shooting scheme based on the method of the independent solution decomposition in the MHD AEGIS code [L.J. Zheng, M.T. Kotschenreuther, J. Comp. Phys. 211 (2006) 748] is extended to the kinetic calculation. A numerical method is developed to solve the gyrokinetic equation of lowest order for the response to the independent solutions of the electromagnetic perturbations, with the quasineutrality condition taken into account. A transform method is implemented to allow the pre-computed Z-function (i.e., the plasma dispersion function) to be used to reduce the integration dimension in the moment calculation and to assure the numerical accuracy in determining the wave–particle resonance effects. Periodic boundary condition along the whole banana orbit is introduced to treat the trapped particles, in contrast to the usual reflection symmetry conditions at the banana tips. Due to the adaptive feature, the AEGIS-K code is able to resolve the coupling between the kinetic resonances and the shear Alfvén continuum damping. Application of the AEGIS-K code to compute the resistive wall modes in ITER is discussed.     

Asymptotic-Preserving Particle-In-Cell method for the Vlasov–Poisson system near quasineutrality

This paper deals with the numerical resolution of the Vlasov–Poisson system in a nearly quasineutral regime by Particle-In-Cell (PIC) methods. In this regime, Classical PIC methods are subject to stability constraints on the time and space steps related to the small Debye length and large plasma frequency. Here, we propose an “Asymptotic-Preserving” PIC scheme which is not subjected to these limitations. Additionally, when the plasma period and Debye length are small compared to the time and space steps, this method provides a consistent PIC discretization of the quasineutral Vlasov equation. We perform several one-dimensional numerical experiments which provide a solid validation of the method and its underlying concepts, and compare the method with Classical PIC and Direct-Implicit methods.     

Free energy reconstruction from steered dynamics without post-processing

Various methods achieving importance sampling in ensembles of nonequilibrium trajectories enable one to estimate free energy differences and, by maximum-likelihood post-processing, to reconstruct free energy landscapes. Here, based on Bayes theorem, we propose a more direct method in which a posterior likelihood function is used both to construct the steered dynamics and to infer the contribution to equilibrium of all the sampled states. The method is implemented with two steering schedules. First, using non-autonomous steering, we calculate the migration barrier of the vacancy in Fe-α. Second, using an autonomous scheduling related to metadynamics and equivalent to temperature-accelerated molecular dynamics, we accurately reconstruct the two-dimensional free energy landscape of the 38-atom Lennard-Jones cluster as a function of an orientational bond-order parameter and energy, down to the solid–solid structural transition temperature of the cluster and without maximum-likelihood post-processing.     

Seletivitätsbestimmung von Katalysatoren zur Toluolentalkylierung durch Einsatz von Toluol-14C-7

Die bei der katalytischen Toulolentalkylierung mögliche Konkurrenzreaktion der Spaltung des aromatischen Kernes führt zu unerwünschten Verlusten an Aromaten und kann infolge ihrer starken exothermen Wärmetönung bei der technischen Realisierung des Verfahrens Schwierigkeiten bei der thermischen Beherrschung des Reaktors bewirken. Bereits in der Entwicklungsphase des Katalysators ist man somit auf ein Verfahren angewiesen, das es erlaubt, diese Ringspaltung sicher nachzuweisen und quantitativ zu bestimmen.

In der vorliegenden Arbeit wird eine Tracermethode unter Einsatz von Toluol-¹⁴C-7 beschrieben, die diese Forderung weitgehendst erfüllt.     

Open‐cage fullerenes as tailor‐made container for a single water molecule

Water is the most important liquid on earth. Clusters of water have been investigated extensively in an effort to understand the bulk property of water. But the behavior of single water molecule without H‐bond has been rarely studied. Open‐cage [60]fullerenes have been shown to trap a single water molecule selectively over molecules with comparable size and act as the smallest “water bottle”. Copyright © 2013 John Wiley & Sons, Ltd.     

高效液相色谱-串联质谱法测定动物血浆中罗匹尼罗的浓度

建立高效液相色谱-串联质谱(LC-MS/MS)测定动物血浆中罗匹尼罗浓度的方法。血浆经乙酸乙酯萃取后,以HPLC分离,电喷雾离子化(ESI~+)串联质谱检测。以甲醇-乙腈-0.1‰冰醋酸(36:9:55)为流动相,流速为0.2mL·min~(-1),采用Ultimate XB-C 18柱(150mm×2.1mm,3μm)分离,在三级四极杆串联质谱中经电喷雾电离源(ESI)离子化,以多反应监测(MRM)方式进行检测。盐酸罗匹尼罗、盐酸苯海拉明(内标)的扫描离子对m/Z分别为261→114和m/Z 256→167。LC-MS/MS测定血浆中罗匹尼罗线性范围为0.02—400ng·mL~(-1),范围内线性关系良好(r=0.9998);以3个浓度水平的质量控制样品求得各浓度水平日内、日间精密度(RSD)均小于15.2%。在非临床药代动力学研究中,应用此法测定了受试兔子血浆中罗匹尼罗的浓度。该法灵敏、快速、准确,操作简便,样品处理方便,线性范围宽,该方法检测快速、专一、灵敏,可满足罗匹尼罗临床前药代动力学研究和临床药动学研究的要求。