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.     

鄂尔多斯盆地腹部下古生界天然气赋存系统研究

运用深盆气圈闭的基本原理，综合分析了鄂尔多斯盆地下古生界天然气赋存的基本地质因素，论证并提出了盆地腹部下古生界深盆气圈闭的新认识，并依据盆地地质构造特征将其进一步划分为：西部前渊拗陷型和中东部复式向斜型两大深盆气赋存系统．     

The Modeling of Velocity Enhancement in Polymer Flooding

In single-phase polymer flooding experiments it has repeatedly been observed that the average velocity of the polymer molecules is higher than the average velocity of the water molecules. This effect is incorporated in many conventional Enhanced Oil Recovery (EOR) simulators by the introduction of a constant velocity enhancement factor. In this paper we show that, in absence of dispersion, a constant enhancement factor in the mathematical model for two-phase polymer flow (Buckley--Leverett displacement) leads to ill-posedness of the model equations. We propose a saturation dependent enhancement factor, derived from a model based on percolation concepts, for which this problem does not occur.     

Chemiluminescence upon isomerization of dimethyldioxirane in the gas phase and on a sorbent surface

Chemiluminescence (CL) was found upon the isomerization of dimethyldioxirane in the gas phase under argon atmosphere. The intensity of CL increases as temperature increases and decreases with time at constant temperature. If Silipor is placed in a cell containing the dimethyldioxirane vapor in argon, the intensity of CL sharply increases (more than 10 times) and then decreases following the exponential law. In all cases tripletly excited methyl acetate is the emitter of chemiluminescence.[/ p]Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 2582–2583, October 1996.     

苯酚的直接催化羟基化及其产物的气相色谱分析

具有ＭＥＬ拓扑结构的新型钛硅沸石ＴＳ－２，对用Ｈ２Ｏ２直接将苯酚选择性氧化为邻、对苯二酚的反应，表现出优良的催化活性，Ｈ２Ｏ２的选择率和产物所上率都很高。产品混合物的定量分析采用气相色谱法，以ＯＶ－２５为固定液、联苯为内标，得到了令人满意的结果。     

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.     

Difference between canonical and grand canonical ensembles in discrete lattice gas models

We calculate the site occupation probabilities of one-dimensional lattice gas models within the canonical and grand canonical ensembles. The appearing differences do not vanish if we increase the system size keeping the site energies discrete. In this way one can explain the surprising numerical results of Barszczak and Kutner. This effect in the single-site occupation number disappears in higher dimensions.