A data-acquisition system for the combination gas chromatograph-mass spectrometer

Summary A method for fast digital recording of low-resolution mass spectra has been developed. The method has been used for combination gas chromatography — mass spectrometry and allows, inter alia, on-line inspection of the data being recorded. Since the central unit of the acquisition system consists only of a multi-channel analyser, the system costs less than computer-based alternatives.The data recorded and processed can be displayed in a number of ways, usually after semi-automatic back-ground subtraction and normalisation. Interpretable data are then presented as tables or plotted diagrams, and are in computer-compatible form to allow later comparison with library-stored mass spectra.

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Ein Datenverarbeitungssystem zur Kombination Gas-Chromatograph-Massenspektrometer

Zusammenfassung Es wurde eine Methode zum schnellen digitalen Aufzeichnen von Massenspektren niedriger Auflösung entwickelt. Die Methode wurde für die Kombination Gas-Chromatographie — Massenspektrometrie verwendet. Sie erlaubt unter anderem eine on-line-Beobachtung der erfaßten Daten. Da die Zentraleinheit des Datenverarbeitungssystems nur aus einem Viel-Kanal-Analysator besteht, kostet das System weniger als andere, die auf einem Prozeßrechner basieren.Die erfaßten und verarbeiteten Daten können auf verschiedene Weise — gewöhnlich aber nach halbautomatischer Untergrundkorrektur und Normierung — dargestellt werden. Interpretierbare Daten werden dann in Form von Tabellen oder von Diagrammen dargestellt; sie sind in einer Form, die den Daten aus einem Prozeßrechner entspricht, so daß ein späterer Vergleich mit gespeicherten Massenspektren möglich ist.

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Un système de traitement de donnèes pour la combinaison chromatographe en phase gazeuse — spectromètre de masse

Sommaire On a mis au point une méthode pour l'enregistrement digital rapide de spectres de masse à faible résolution. La méthode a été employée pour la combinaison chromatographie en phase gazeuse — spectrométrie de masse. Entre autres, elle permet l'observation «on-line» des données enregistrées. Puisque l'unité centrale du système de traitement de données consiste seulement d'un analyseur multi-canal, le système est moins coûteux que d'autres basés sur l'emploid d'un ordinateur de procédé.Les données enregistrées et traitées peuvent être présentées de façon différente — mais généralement après correction semi-automatique du bruit de fond et standardisation subséquente. Les données qui se prêtent à l'interprétation sont alors présentées sous forme de tables ou de diagrammes; elles ont une forme qui correspond à celle des données fournies par un ordinateur de procédé, de sorte qu'une comparaison avec des spectres de masse déjà existants est rendue possible.

     

声波水平折射引起水平位移椭圆极化和声能流水平偏转

针对矢量水听器测向的应用要求,研究了三维水声传播问题中水平折射对声矢量场特性的影响。理论分析表明,水平折射可使质点水平位移从线性极化转变为椭圆极化,同时引起声能流方向的水平偏转。声能流方向的水平偏转导致波达方向偏离目标水平方位,对目标水平方位估计造成误差。采用虚源法仿真了倾角为2.86°的楔形波导中的三维声矢量场,并给出了空间各点处由水平折射引起的单矢量水听器目标方位估计误差。结果显示,部分区域中由水平折射引起的目标方位估计误差可达10°以上。     

膜催化研究IV: 钯-氧化铝/陶瓷复合膜

本文在无机氧化铝膜的基础上掺入钯, 用sol-gel法制得钯-氧化铝/陶瓷复合膜, 将该膜用于乙醇脱氢制乙醛反应, 分别考察了反应温度、乙醇进样量以及内管惰性气体吹扫气流对乙醛产率的影响, 并在相同条件下比较了常规反应器及单纯氧化铝膜反应器的结果。实验数据表明, 氧化铝膜中掺入钯后可显著提高乙醛产率。本文测定了该复合膜的H2/Ar分离系数、孔径分布, 并利用电子显微镜、X射线衍射等手段对其进行了表征。     

Relativistic atomic natural orbital type basis sets for the alkaline and alkaline-earth atoms applied to the ground-state potentials for the corresponding dimers

New basis sets of the atomic natural orbital (ANO) type have been developed for the atoms Li–Fr and Be–Ra. The ANOs have been obtained from the average density matrix of the ground states and the lowest excited states of the atom, the positive ion, and the dimer at its equilibirium geometry. Scalar realtivisitc effects are included through the use of a Douglas–Kroll Hamiltonian. Multiconfigurational wave functions have been used with dynamic correlation included using second-order perturbation theory (CASSCF/CASPT2). The basis sets are applied in calculations of the ground-state potentials for the dimers. Computed bond energies are accurate to within 0.05 eV for the alkaline dimers and 0.02 eV for the alkaline-earth dimers (except for Be₂).Acknowledgments.ensp;B.O.R. would like to express his gratitude to Prof. Jacopo Tomasi for all the inspiration that his scientific work has given him through the years and continues to do in particular through the work on solvent effects on molecular properties. This work has been supported by a grant from the Swedish Science Research Council, VR.Contribution to the Jacopo Tomasi Honorary Issue     

Collection and Determination of Mercury in Air

A method has been developed for the determination of low concentrations of mercury in air (nanograms/m³), i.e. in the range of the believed natural levels of mercury in the atmosphere (20 ng/m³). Mercury vapour has been collected from up to 200 1 of air in glass tubes containing thin films of gold on sieved ceramic powder. In the laboratory the absorbed mercury was then released into a quartz-window cell by heating the tube in an oven at 500°C.

In this paper it is demonstrated that, by using extremely thin films of precipitated gold, quantitative recovery is obtained and memory effects, which result from the use of thicker films, are avoided.     

A CASSCF-CI study of the coordination of ethylene with iron

Summary Complete active space SCF, CASSCF, and contracted CI calculations have been performed on the -bonded complex between ethylene and an iron atom. An extended basis set of the ANO type was used, which included polarization functions on all centers. The results indicate an attractive interaction between Fe ⁵ F(d⁷s) and ethylene, with an estimated binding energy of 14 kcal/mol. The low spin complex arising from Fe ³ F(d⁷s) was found to be bound with 18 kcal/mol. Both these potential minima are, however, above the ground state of the iron atom. It is concluded that the interaction between atomic ground state iron and ethylene is not of the normal -bonded type, but is dominated by dispersion forces. A preliminary study showed this interaction to be almost isotropic, with no preferred site for the iron atom.     

利用宽带声场干涉结构特性对移动船只距离的连续估计

浅海移动船只的宽带辐射声场在距离-频率上通常表现为有规则的干涉条纹结构,这些条纹的特性(数目和斜率)可用波导不变量理论来表征并已被用于多种水声反演问题中,如沉积层声学参数反演和宽带声源距离的估计。基于波导不变量理论和干涉条纹的结构特性,利用扩展卡尔曼滤波器分析移动船只LOFAR图中干涉条纹的距离-频率特征可对其距离进行连续估计。该方法不需要海洋环境的信息和前向拷贝声场计算,具有较高的计算效率。海试数据处理结果和GPS数据计算结果比较一致,证实了本方法的准确性。试验数据处理同样证实该方法对初始距离的选择有着较高的稳健性。     

含R_2dtc配体Mo-Cu化合物的动态~(95)Mo NMR

本实验利用动态~(95)Mo NMR监测Mo-Cu系列化合物的形成过程,对反应CuCl+NaR_2dtc+MoO_nS,摩尔比3:3:1,溶剂为DMF;R=Et,n=0(Ⅰ);R=Me,n=0(Ⅱ);R=Et,n=2(Ⅲ)进行了研究,观察到具有不同簇骼的多种中间产物的存在及随反应进程相互转化等现象。     

会聚区的水平偏移特性及其临界频率分析

利用数值模型研究了完整深海声道中会聚区的水平偏移特性,根据折射定律和Lloyd镜效应推导了会聚区发生水平偏移时临界频率的表达式。研究结果表明:当声波频率低于临界频率时,会聚区的主导模态与频率相关,随着声波频率减小会聚区会向靠近声源的方向水平移动,同时传播损失明显增大,当声波频率大于临界频率时,会聚区的主导模态近似与频率无关,会聚区的位置和传播损失大小不会随频率改变而发生明显变化,声源深度不同时,临界频率也不同。通过临界频率可以确定在特定声源深度下,会聚区发生水平偏移时需要满足的频率条件,利用临界频率与声源深度之间的关系,可以被动估计深海浅层目标的深度。