Visualization of rigorous sum rules for Franck–Condon factors: spectroscopic applications to Xe2

A fully quantum mechanical approach to the calculation and normalization of the Franck–Condon factors for diatomic species is described. The treatment is based on the fundamental demand of completeness of the energy eigenfunctions, which results in the rigorous sum rule for the Franck–Condon overlap integrals. The importance of this general rule has been discussed and thoroughly illustrated in the case of diatomic xenon molecules. Exactly solvable reference potentials for this system have been constructed and a complete basis of the actual energy eigenstates (including both bound and scattering states) has been created. Several direct spectroscopic applications to xenon excimers are presented, and their good agreement with relevant experimental data demonstrated. In particular, a kinetic model is proposed to explain the observed oscillatory structures in the fluorescence spectra of Xe₂^* [Chem. Phys. Lett. 117 (1985) 301] related to their classical left turning points. The same model gives a uniform explanation to the well-known first and second emission continua of rare gases.     

蒸汽活化对钙基脱硫剂孔结构及固硫能力影响的实验研究

本文用实验方法研究了在电站锅炉排烟温度条件下，水蒸汽对钙基脱硫剂的活化作用．实验结果表明，蒸汽活化使得脱硫剂孔结构发生了显著变化并明显改善了脱硫剂的固硫能力．这为进一步了解活化机理及开发省水，经济的排烟脱硫技术提供了依据．     

Global Smooth Solutions of the Equations of a Viscous,Heat - Conducting,One - Dimensional Gas with Density - Dependent Viscosity

We consider initial boundary value problems for the equations of the one-dimensional motion of a viscous, heat-conducting gas with density-dependent viscosity that decreases (to zero) with decreasing density. We prove that if the viscosity does not decrease to zero too rapidly, then smooth solutions exist globally in time.     

On Binary Computation Structures

Based on a modification of Moss' and Parikh's topological modal language [8], we study a generalization of a weakly expressive fragment of a certain propositional modal logic of time. We define a bimodal logic comprising operators for knowledge and nexttime. These operators are interpreted in binary computation structures. We present an axiomatization of the set T of theorems valid for this class of semantical domains and prove – as the main result of this paper – its completeness. Moreover, the question of decidability of T is treated.     

The epitaxial growth of gaas using alkylarsine: Part 2. molecular orbital calculation

Semi-empirical molecular orbital calculations were carried out for the compounds (C₂H₅)₃As, (C₂H₅)₃Ga and RAsH₂ (R = C₂H₅, i-C₃H₇, i-C₄H₉, and t-C₄H₉) by using the CNDO/2-U program, and their capability of β-elimination reaction is compared on the basis of the torsion energy to the transition state, electrostatic interactions and orbital overlapping between the central atom and the β-hydrogen, and bond order of the metal-carbon, and carbon-hydrogen bond. In the comparison of (C₂H₅)₃As with (C₂H₅)₃Ga, we found that the β-elimination of (C₂H₅)₃As could hardly be expected to take place in the thermal decomposition. The capability of β-elimination would be smaller in C₂H₅AsH₂ than that in (C₂H₅)₃As. Moreover when the ethyl group is replaced by a t-butyl group in RAsH₂, the β-elimination reaction appears to become more difficult and a large possibility for a radical process is suggested.     

A polar macroporous sorbent for gas chromatography

Summary The gas chromatographic behaviour of crosslinked macroporous 2-hydroxyethyl methacrylate grafted with 2-methyloxazoline was investigated and the range of applicability of the copolymer was assessed. Retention index values were measured on this copolymer and compared with those obtained on the terpolymer 2-hydroxyethyl methacrylate-ethylene dimethacrylate-acrylonitrile. Rohrschneider constants and efficiency data for selected sorbates are given. The use of this type of polymer in the separation of various types of compounds is documented by various examples.     

Solubility parameter determination of cationic surfactants by inverse GC

Summary The solubility parameters of cationic surfactants were obtained using the inverse gas chromatographic technique. The surfactants didodecyl dimethyl ammonium bromide, dioctadecyl dimethyl ammonium bromide and dodecyl pyridinium chloride were used as stationary phase and retention data of different probe solutes were measured at different temperatures. The results were analysed by the combination of Flory-Huggins and Hildebrand theories, and the solubility parameters of the surfactants were obtained in a range of temperatures between 80–120°C.     

燃煤烟气中As、Se、Pb的形态分布及S、Cl元素对其形态分布的影响

基于化学热力学平衡分析方法，计算分析了燃煤烟气中重金属As、Se、Pb的形态分布规律，研究了S、Cl等元素对As、Se、Pb的形态分布规律的影响。结果表明，氧化性气氛下，As以As₂O₅、As₄O₆、AsO等氧化物的形式存在；Se主要以SeO₂形式存在；Pb在1000 K以下主要是固态PbSO₄，1200 K以上为气态PbO。还原性气氛下，As在较低温度时为固态As₂S₂，900-1400 K以As₂、AsS、AsN气体共存，2000 K以上全部转化为气态AsO。Se在1100 K以下主要以气态H₂Se存在，1100 K开始生成SeS和Se₂气体，1800 K时主要是气态Se和少量气态SeO；Pb在中低温时主要是PbS，1800 K以上气态Pb为主要存在形态。S在还原性气氛下增大了AsS（g）、PbS（g）、SeS（g）的比例，氧化性气氛下对As、Se、Pb形态分布基本无影响；Cl无论在氧化还是还原气氛下对As、Se影响均较小，但对Pb的形态分布影响较大。     

Synthesis,characterization and properties of methylaminocellulose

Homogeneously prepared tosylcelluloses (TC) with degrees of substitution (DS) of DS_Tos 0.1–1.8 were used as intermediates for the synthesis of methylaminocelluloses (MAC) by nucleophilic substitution with methylamine. TC with DS_Tos up to 1.1 were shown to be valuable intermediates for selective synthesis of MAC with DS_MA varying from 0.1 to approximately 1. No nucleophilic substitution was observed at higher DS_Tos. At the chosen reaction conditions (60 °C, 48 h) residual tosyl moieties remained unchanged and little hydrolysis took place. The samples obtained were characterized by means of elemental analysis, FTIR and ¹³C CP/MAS NMR spectroscopy. ¹³C CP/MAS NMR spectroscopy was found to be an efficient tool for quantification of DS_MA. Furthermore, the swelling behaviour in water was investigated and preliminary tests concerning the bilirubin adsorption capacity of MAC were carried out.