An energy-transport model for semiconductors derived from the Boltzmann equation

An energy-transport model is rigorously derived from the Boltzmann transport equation of semiconductors under the hypothesis that the energy gain or loss of the electrons by the phonon collisions is weak. Retaining at leading order electron-electron collisions and elastic collisions (i.e., impurity scattering and the elastic part of phonon collisions), a rigorous diffusion limit of the Boltzmann equation can be carried over, which leads to a set of diffusion equations for the electron density and temperature. The derivation is given in both the degenerate and nondegenerate cases.     

High-temperature TG/DSC/QMS applications in environmental protection

The decomposition reactions of polystyrene, phenolic resin and a protective undercoating material for automobiles which contains PVC were tested using a new type of thermal analysis — mass spectrometry coupling system for measurements to 1500C or 2000C, which is based on the principle of a two-step skimmer orifice system. The results will be presented, with particular emphasis on the detection sensitivity of the new system for the products of decomposition.The capability of this coupling system to detect even heavy metals such as lead and silver in the waste gases from decomposition or after evaporation at high temperatures will also be demonstrated.     

检测易爆气体的催化发光传感器研究

报道了一种用于定量分析易爆气体混合物丙烷和异丁烷的基于碳酸锶纳米材料的催化发光传感器。基于该传感器在不同温度下对两种气体的灵敏度不同，在320℃和342℃两个工作温度下，两种气体的浓度范围均为1000mL／m^3～10000mL／m^3时，分别建立了混合组分浓度相对催化发光强度的两个线性回归方程。在342℃时，丙烷和异丁烷的检出限（3σ）分别为50mL／m^3和20mL/m^3。可通过解上述两个联立方程式求得未知混合物中两组分的浓度。外来物质甲烷、乙烷、CO、氨气通过传感器时，甲烷和乙烷分别引起5．6％和17．2％的干扰，其它气体不干扰测定。20000mL／m^3的水蒸气不干扰2000mL／m^3丙烷和异丁烷气体的测定。用该法分析了人工合成样品中两种气体的浓度。     

Variation of the ℏω with the particle number and the appearance of “kinks” for atomic clusters

The dependence of the harmonic oscillator (HO) energy level spacing ?ω on the particle number N is studied analytically for atomic (metal) clusters on the basis of their electronic densities, parametrizing Ekardt's results (for sodium clusters) by means of a Fermi distribution. An interesting feature of such an approach is that it leads, under the assumptions made, to “kinks,” that is, to “marked discontinuities in the slope” of ?ω at the closed shells. These discontinuities diminish as N increases. For large N, ?ω becomes simply: ?ω?c₁N^?1/3+c₂N^?1. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001     

Quantification of several atmospheric gases from high resolution infrared solar spectra obtained at the south pole in 1980 and 1986

Simultaneous total column amounts of a number of minor and trace atmospheric gases above the South Pole in December 1980 and December 1986 have been deduced from analysis of high resolution solar absorption spectra recorded (by F. J. M. and F. H. M.) from Amundsen-Scott South Pole Station. These spectra also contain some limited information on the vertical profiles of the observed atmospheric gases.The data sets were recorded with a Bomem Michelson-type interferometer and analyzed with a spectral least-squares fitting procedure, utilizing the best available spectroscopic line parameters and absorption cross sections. Because the same instrument, line parameters, and analysis method have been used in analyzing the December 1980 and December 1986 data sets, the precision in comparing the column amounts from these two dates is rather high, about 10–20% for the stronger absorbing gases. For this reason, it has been possible to quantify or determine upper limits for differences between the December 1980 and December 1986 total column amounts, of a number of atmospheric gases including O₃, N₂O, HNO₃, CO₂, CH₄, and CF₂C_{1 2} (CFC 12). In addition, vertical column amounts for a number of atmospheric gases covered only in the December 1986 observations have been derived, including HC1, NO, NO₂, and C₂H₆. Some of these results will be discussed here. The HC1 measurements are especially interesting since the observed amounts are higher than expected from observations made at lower latitudes in the northern and southern hemispheres.     

烷类特种气体分析装置的研制及其应用

研制烷类特种气体分析专用的多维气相色谱仪，特制的热导检测器，具有手动－自动功能。设计了输气－配气装置和多维气相色谱流程。以微机控制，可按编辑程序清洗系统。检查本底，自动进样，显示或打印谱图和分析结果。可检测多种烷类特种气体组份及其中氧，氮，一氧化碳和甲烷等痕量杂质。     

Comparison of combustion sources for sulfur chemiluminescence detection

Three different types of SCD combustion source have been evaluated for use in the chromatographic analysis of atmospheric sulfur compounds. The conventional FID source and the newer inverted burner source were found to be less sensitive and less stable than the flameless design. Overall, the flameless source was superior for use with HRGC-SCD.     

A new method for characterizing solid surface acidity - an infrared spectroscopic method using probe molecules such as N2 and rare gases

A new infrared-spectroscopic method to characterize acid sites of zeolites using small and weakly basic molecules such as diatomic and monoatomic molecules is reviewed. It has been revealed that N2 is an effective probe molecule to characterize both Brønsted acidity and Lewis acidity of H-form zeolites. The characteristics of the N 2 probe are discussed in detail in comparison with the CO probe. O2 and rare gases have also been applied to monitor the strong acid sites in the H-form zeolites. Further, the studies of the adsorption of water on H-form zeolites are shortly reviewed: a recent IR study of the H₂ ¹⁸O adsorption on H-ZSM-5 has given direct experimental evidence that the main feature of the observed IR bands is due to the hydrogen-bonded adsorption of water on the Brønsted acid sites.     

Ru_n(n=2~8)金属团簇的结构和能级分布的DFT研究

采用密度泛函理论中的广义梯度近似(DFT/GGA)方法,对Run团簇(n = 2~8)的几何结构与稳定性、束缚能以及能级分布的关系进行了研究,并分析了随着团簇原子数的增加,团簇的几何结构和费米能级的变化,结果表明:Ru簇的几何结构在4个原子以前是平面结构,而从5个原子开始为空间立体的稳定结构,束缚能随金属原子数的增加而增加。能级结构呈明显的分立特征,费米能级随原子个数的增加而增加,但从Ru7开始又有所降低,且团簇的能量间隙逐渐减小,趋近于大块金属的能级特征。     

Enthalpies of aqueous solution of noble gases at 25°C

The standard enthalpies of solution of rare gases (helium, neon, argon, krypton, and xenon) in water at 25°C have been measured by a high precision steady-state calorimetric method. The aqueous solvation process is energetically favorable at 25°C for the gases studied. Values of the standard free energy, enthalpy, and entropy changes are found to be well correlated with cavity surface areas and the number of water molecules in the first solvation shell. Also, the values of the standard enthalpy and entropy of solution for the rare gases are found to have the same dependence on the number of solvation shell water molecules as inorganic and hydrocarbon gases. These results imply that the dominant source of enthalpy and entropy change resides in the first solvation shell.