微通道内电解质溶液离子分布动电学效应模拟

动电学效应对微通道内流体流动特性影响很大,其对通道内粒子分布特性的影响使得通道近壁面流体流动特性极不稳定。本文采用分子动力学方法模拟了二维矩形微通道内NaCl稀电解质溶液的流动特性,考虑存在于不同粒子间的Lennard-Jones势能、静电力、以及带电离子与水分子间的相互作用,得到了粒子在通道内的分布特征。结果显示在动电学效应主要作用于通道壁面附近,而主流区域影响极小。Na~+离子在无量纲通道高度达到0.08和0.91时其浓度达到最大值,沿远离壁面其浓度逐渐降低,与壁面电性相反的Cl~-离子则在无量纲通道高度达到0.15和0.84附近浓度最高。其结果与基于连续介质解理论的Boltzamnn统计分布一致。水分子的浓度在壁面附近也较通道中心处高。     

闪电放电通道等离子体成分及相关特性的研究

以无狭缝摄谱仪获得了青海和西藏地区的云对地闪电回击过程的光谱,依据谱线波长和相对强度等信息,结合等离子体相关理论,得到了放电通道温度和电子密度;在此基础上,根据Saha方程、电荷守恒方程和粒子数守恒方程计算了闪电通道主要元素各级电离的离子数密度,进而得到通道质量密度、压强及平均电离度, 并分析了不同强度闪电放电通道的电离度、粒子数密度及其分布特征。结果表明：回击通道接近于完全电离,一次电离离子占主要地位,且NⅡ离子数密度最高;不同强度的闪电放电通道中,NⅡ和OⅡ离子的相对浓度值变化不大;计算过程中考虑带电离子间库仑相互作用以后,原子电离能的计算值降低,中性原子以及一次电离离子数密度的计算值变小,高次电离离子数密度的计算值变大。     

弯曲通道式微通道板

弯曲通道式微通道板是高增益微通道技术的最新发展。这种新型的电子倍增器比一般的微通道板有许多重大改进。一般的微通道板的缺点是增益有限和具有离子反馈。当通道内残余气体分子被二次电子电离时,就产生离子反馈。于是,这些带正电荷的离子就反向通过通道,当它们撞击通道壁时已得到足够的动量产生二次电子。这些二次电子逐次放大,景终形成杂散的输出脉冲。在另一种情况下,离子可以完全脱离通道,撞击在象管的光电阴极上致使离子毒化,最后降低阴极的量子效率。为了便于微通道板以高增益模式或光子计数模式工作,必须要限制离子反馈。在弯曲通道式微通道板内完成这一工作的方法,是将通道弯凸到足够的凸率,以缩短离子撞击通道壁之前可以运行的距离。这样就限制了离子的动量和造成杂散脉冲的二次电子的生成几率,从而逐次降低噪声因数。由于大大地减小了离子反馈比,现在就可能使单一微通道板的工作增益超过10~6,并且由于弯曲通道式微通道板是单片的电子倍增器,还保持了电子图象的空间分辨率。弯曲通道式微通道板无论是用模拟输出或脉冲饱和输出工作都具有低噪音的均匀增益。弯曲通道式微通道板能按照每个用户所需尺寸定做。     

离子风强化通道内平板对流传热的数值模拟

本文采用COMSOL Multiphysics软件对离子风强化通道内平板对流传热进行了三维数值模拟研究。文中研究了离子风作用下通道内的速度场和电场力的分布情况,同时还对比研究了三种不同流动情况下对流传热系数的变化规律。研究结果表明电场力是影响离子风强化传热效果的一个重要因素。     

仿生智能单纳米通道的研究进展

自然界的生命体经过亿万年的进化几乎完成了智能操纵的所有过程,向自然学习是智能新材料和新体系发展的永恒主题.生物学纳米通道,典型的如水通道和离子通道,在细胞的基本分子生物学过程中发挥着重要的作用.目前,仿生智能单纳米通道主要是从不同外场响应(pH值、温度、离子等)来开展研究.文章主要结合作者所在课题组的最新研究进展,对受水通道和离子通道启发的仿生智能纳米通道系统的研究工作做一简要综述和展望.     

通道靶对超强激光加速质子束的聚焦效应

发散角过大是制约超强激光与固体靶相互作用加速产生高能质子束应用的一个重大物理难题.本文提出了一种结构化的通道靶型,与超强激光相互作用可提高质子束的发散特性,通道壁上产生的横向电荷分离静电场可对质子有效聚焦.采用二维particle-in-cell粒子模拟程序对激光通道靶相互作用过程进行了研究,分析了加速质子束的性能特点.模拟结果表明,与传统平面靶相比,通道靶可以在不过多损失能量的情况下产生具有更好准直性的质子束,尤其当通道靶的直径与激光焦斑尺寸和质子源尺寸相当时,横向静电场能够有效聚焦质子束,并且可保证相对较高的激光能量利用率.     

光谱法研究闪电通道的导电特性

依据无狭缝光栅摄谱仪在青海获得的云对地闪电回击光谱信息,结合空气等离子体传输理论,用四种不同方法计算了同一闪电放电通道的电导率。结果表明：各种方法所得闪电核心通道的电导率数量级均为104 S·m-1;且同一通道内的电导率随通道高度的增加有减小的趋势;通道内电子与一次、二次电离离子的碰撞以及它们各自的碰撞对通道电导率的贡献不可忽略;用碰撞积分的方法计算闪电核心通道的电导率结果更为合理。在通道电导率的基础上估算了回击通道的放电电流,与辐射峰值电场实验资料所得的相应峰值电流相比,其结果在合理的范围内, 并进一步探讨了温度与电流放电特性的相关性, 为研究闪电放电电流提供了一条可行的途径。     

几率量子隐形传态的离子阱方案

本文提出了一个在分别囚禁于不同离子阱中的两个离子间实现几率量子隐形传态的简单方案,Alice对离子1和离子2的内态进行联合测量并通过经典通道告诉Bob测量结果,Bob利用一束经典驻波场激光与离子3相互作用并控制相互作用的时间就能够在离子3上最佳几率地重现离子1的初始内态.     

波纹通道换热特性的三维数值研究和场协同分析

应用计算流体力学CFD(Computational Fluid Dynamics)方法,对顺人字组合及软硬板组合波纹通道内三维稳态湍流流场进行了数值模拟,定量计算了不同流动速度和不同结构参数下波纹通道的传热因子j和摩擦系数f,得到了波纹通道换热与流动阻力随波纹夹角β及波纹密度λ/h的变化规律,进而对波纹通道进行了整体性能评价,并从场协同理论角度,分析了波纹通道强化换热的机理。     

氟羟磷灰石通道离子的FTIR研究

以傅立叶变换红外光谱为表征手段,对合成的氟羟磷灰石通道离子进行研究。结果发现:F-离子替换羟基后,羟基在3573和634 cm-1的振动吸收带强度减弱,而在3542、678、715和736 cm-1左右出现新的振动谱带,且随F-离子含量不同出现规律性变化。新出现的谱带数目与群论推测的结果相符,表明该谱带属于羟基基团;羟基振动吸收带的变化,表明F-离子替换羟基的位置,形成[OH…F]氢键,使羟基的伸缩振动向低频偏移,弯曲振动向高频偏移。另外,通过3542-3573cm-1和715-736cm-1左右的谱带相对面积比与F-含量的关系,可为F-离子替换羟基行为提供一些依据。     

甲醛的态选择性多光子电离研究

我们在XeCl准分子激光多光子电离甲醛分子的研究中,获得了甲醛经过2+1和2+2光子共振激发过程而产生的母体离子和高能离解通道的离子CO⁺。在电子轰击和单光子电离中占优势的低能阈离解通道离子HCO⁺,由于态选择性激发的结果而未出现。 关键词：     

Boron-, nitrogen-, aluminum-, and phosphorus-doped graphite electrodes for non-lithium ion batteries

Intercalation of Li⁺, Na⁺, K⁺, Mg²⁺, Ca²⁺, Zn²⁺, and Al³⁺ ions into B-, N-, Al-, and P-doped graphite has been studied using density functional theory calculations. While the intercalation of Li⁺, K⁺, and Ca²⁺ ions into graphite is thermodynamically favorable, that of Na⁺, Mg²⁺, Zn²⁺, and Al³⁺ ions into graphite is unfavorable. When doped in the form of graphitic structure, B, Al, and P dopants significantly stabilize the ion-intercalated graphite compounds. As a result, Na⁺ ions that are unable to intercalate into graphite can intercalate into B-, Al-, and P-doped graphite. The electron transfer from B, Al, and P dopants to host C atoms reinforces the ion–graphene electrostatic interaction, enhancing the thermodynamic driving force for ion intercalation. The catalytic activity of the dopant to promote the ion intercalation increases in the order of N < B < P < Al, which is associated with the electronegativity of the dopant.     

A New Fluorescent Chemosensor Detecting Co<Superscript>2+</Superscript> and K<Superscript>+</Superscript> in DMF Buffered Solution

A new fluorescent chemosensor 2-(2-thiophene)imidazo [4,5,f]-1,10-phenanthroline (L) was prepared and characterized. By adding univalent or divalent metal ions such as Na⁺, K⁺, Mg²⁺, Ba²⁺, Mn²⁺, Fe²⁺, Co²⁺, Ni²⁺, Cu²⁺, Ag⁺, Zn²⁺, Cd²⁺ and Hg²⁺ ions into the solution of L in DMF under buffered conditions with the working pH ranging from 7.0 to 8.0, we found that L could be used to detect K⁺ ratiometricly and it could also be applied to sense Co²⁺ with the phenomenon of fluorescence quenching of L. While the response behavior of L was not discernibly affected by other examined metal ions.     

Ellipticity-dependent of multiple ionisation methyl iodide cluster using 532 nm nanosecond laser

The dependence of multiply charged ions on laser ellipticity in methyl iodide clusters with 532 nm nanosecond laser was measured using a time-of-flight mass spectrometer. The intensities of multiply charged ions I^q+(q = 2–4) with circularly polarised laser pulse were clearly higher than those with linearly polarised laser pulse but the intensity of single charged ions I⁺ was inverse. And the dependences of ions on the optical polarisation state were investigated and a flower petal and square distribution for single charged ions (I⁺, C⁺) and multiply charged ions (I²⁺, I³⁺, I⁴⁺, C²⁺) were observed, respectively. A theoretical calculation was also proposed to simulate the distributions of ions and theoretical results fitted well with the experimental ones. It indicated that the high multiphoton ionisation probability in the initial stage would result in the disintegration of big clusters into small ones and suppress the production of multiply charged ions.     

卡培他滨、5'-脱氧-5-氟胞苷和5'-脱氧-5-氟尿苷的真空紫外光电 离、光解离

利用红外激光解吸/真空紫外光电离质谱方法, 研究了核苷类抗癌药物卡培他滨及其代谢物5'-脱氧-5-氟胞苷和5'-脱氧-5-氟尿苷的光电离、光解离过程. 较低光子能量下, 可在质谱图上观察到分子离子峰及少量碎片离子, 增加光子能量使碎片离子峰大量出现. 另外对三种核苷的特征碎片, 如(M- H₂O)⁺、(Base+H)⁺、(Base+2H)⁺、(Base+30)⁺、(Base+60)⁺及戊糖离子进行了归属,并对可能的解离路径进行了讨论. 利用量子化学从头算方法研究了三种核苷可能的脱羟基过程及相应能量.     

Luminescence studies of thallium co-doped KBr:Eu2+ powder phosphors

In this study, photoluminescence (PL) and photostimulated luminescence (PSL) properties in KBr:Eu²⁺, Tl⁺ powder phosphors are reported. PL emission spectra of these Tl⁺ co-doped KBr:Eu²⁺ phosphors show four overlapping bands around 310, 325, 360 and 375 nm in addition to the characteristic of Eu²⁺ ions at 420 nm. These additional short wavelength bands were attributed to centres involving Tl⁺ ions. The decrease in PSL intensity of γ-irradiated KBr:Eu²⁺, Tl⁺ powder phosphors with Tl⁺ concentration and the absence of thallium emission bands in PSL were attributed to the efficient electron trapping by Tl⁺ ions during irradiation.     

Metal ion interaction with ribosomal RNA

Summary We have used UV differential spectroscopy in order to detect small modifications in the ribosomal RNA absorption spectrum due to the binding of rRNA molecules with the metal ions Na⁺, K⁺, Mg²⁺, Ca²⁺, Mn²⁺, Co²⁺ and Ni²⁺. Our data show that all the ions, investigated are involved in ion-type bond with the phosphate groups of rRNA and cause a refolding of the molecules with an overall increase in basebase ?stacking? interactions. Besides this ion-type binding with phosphate groups, transition metal ions Mn²⁺, Co²⁺, and Ni²⁺ are also able to bond directly to the bases To speed up publication, the authors of this paper have agreed to not receive the proofs for correction.     

Rhodamine B-based “turn-on” fluorescent and colorimetric chemosensors for highly sensitive and selective detection of mercury (II) ions

Two novel macromolecules based on 2-[3-(2-aminoethylsulfanyl)propylsulfanyl]ethanamine covalently bound to one and two units of rhodamine-B moieties, 1 and 2, were prepared and utilized as fluoroionophores and chromophores for the optical detection of Hg²⁺ ions. The sensors were readily prepared by a conventional two-step synthesis. Especially, sensor 1 exhibits high sensitivity and selective OFF–ON fluorescence enhancement and chromogenic change upon binding to Hg²⁺, which served as a “naked-eye” indicator by a noticeable color change of the solution (from colorless to pink–red color). 1 is shown to discriminate various competing metal ions, particularly Ag⁺ and Cu²⁺, as well as Cd²⁺, Na⁺, Li⁺, K⁺, Ba²⁺, Co²⁺, Ni²⁺, Mg²⁺, Mn²⁺ and Al³⁺, with a detection limit of 10 ppb.     

High resolution laser spectroscopy of metallic atoms and molecules: Storage of singly and doubly charged ions transferred from externally generated laser plasmas

A radio-frequency (RF) ion trap has been constructed for high resolution laser spectroscopy of metallic ions. Ions in externally generated laser plasma have been directly introduced into the RF ion trap. An Nd:YAG laser is used to vaporize and ionize sample metals placed behind a ring electrode. Both hyperbolic and cylindrical electrodes are successfully used for confinement of the ions. Trapped ions are detected either with a quadrupole mass spectrometer or with a photomultiplier for the measurement of laser-induced fluorescence. Metallic ions such as Ca⁺, Ba⁺, La⁺, Nd⁺, Tm⁺, Lu⁺, and Ta⁺ have been confined for the time range of several to 20 minutes in the presence of He buffer gas, and a doubly charged ion Ba²⁺ for several seconds. Some ions like Nd⁺, Lu⁺, Hf⁺, and Ta⁺ are found to be highly reactive with background gaseous molecules.     

Theoretical study of charge-exchange and excitation processes in collisions of He<Superscript>+</Superscript> ions with C<Superscript>5+</Superscript>, N<Superscript>6+</Superscript>, and O<Superscript>7+</Superscript> hydrogen-like ions

Data on the cross sections for single-electron charge exchange and excitation in collisions of He⁺ ions with C⁵⁺, N⁶⁺, and O⁷⁺ ions in the He⁺ ion energy range of 0.2–3.0 MeV are obtained for the first time. The cross sections for the single-electron charge transfer into the singlet and triplet 1snl states of C⁴⁺, N⁵⁺, and O⁶⁺ (2≤n≤5) ions and for the 1s → 2p _{0, ±1} electronic excitation of He⁺(1s) ions are calculated. The calculations were performed by solving close-coupling equations on the basis of ten two-electron quasi-molecular states.