甲基偶氮四唑热稳定性和热分解机理的量子化学研究

采用量子化学方法全优化计算了1—甲基—5—偶氮四唑(1—MAT)和2—甲基—5—偶氮四唑(2—MAT)热分解反应位能曲线，探讨了热稳定性和分解机理。热分解活化能计算值分别为245．9，183．2k／mo1，静态分子结构和动态分解性质都显示出1—MAT比2—MAT有更好的热稳定性。裂解优先以开环方式发生。     

晋城矿区煤层气发电现状及规划

晋城矿区赋有丰富的煤层气资源 ,为充分利用这部分煤层气资源 ,晋城无烟煤矿业集团利用美国的打钻、压裂、排采技术实施煤层气开发示范工程 ,经潘庄、寺河两矿煤层初步发电试验 ,取得成功 ,2 0 0 2年初运转的 1 1× 1 0 4kW发电示范工程 ,取得良好的经济效益 ,为后续煤层气资源利用积累了宝贵的经验。     

Electrical and optical study of Cu(In, Ga)Se2 co-evaporated thin films

Co-evaporation technique from three sources was used to prepare Cu(In, Ga)Se₂ polycrystalline thin films for photovoltaic conversion. Their conductivity was studied in the range 20–300 K. The grain boundary scattering mechanism is mainly responsible for the diffusion process in the latter materials. In the low temperature region, we interpret the data in terms of Mott law and the analysis is very consistent with the variable range hopping. However, thermoionic emission is predominant at high temperatures. When the conductivity deviates from the classical grain boundary conduction models, inhomogeneity is then considered and parameters such as the standard deviation and the mean potential barrier height are derived. Transmittance measurements yielded band gap values of 1.07 and 1.64 eV for CuInSe₂ and CuGaSe₂, respectively.     

气相法二氧化硅应用机理及特性

主要介绍了气相法二氧化硅在液态体系、干燥体系、固态体系中的作用机理；气相法二氧化硅在应用中的特殊性能；以及比表面积、pH、含水量、添加量、表面处理程度等气相法二氧化硅各项物理性能对应用性能的影响。     

石油勘探开发行业可持续发展战略研究

从可持续发展的基本内涵出发，初步研究了石油勘探开发行业可持续发展的主要特征和指导原则，并提出了石油勘探开发行业可持续发展的若干主要对策。将可持续发展思想和战略逐渐融进石油工业业务活动中去，对我国石油工业的持续稳定发展具有十分重要的意义。     

铜浸出液的净化除铁研究

研究了氧化－中和沉淀法从铜浸出液中除铁的工艺条件，并介绍了工业实践。     

Silicon Nitride Derived from an Organometallic Polymeric Precursor: Preparation and Characterization

Partially crystalline Si₃N₄, with nanosized crystals and a specific surface area greater than 200 m²/g, is obtained by pyrolysis of a commercially available vinylic polysilane in a stream of anhydrous NH₃ to 1000°C. This polymer does not contain N initially. Crystallization to high-purity α-Si₃N₄ proceeds with additional heating above 1400°C under N₂. The changes in crystallinity, powder morphology, infrared spectra, and elemental compositions, for samples annealed from 1000° to 1600°C under N₂, are consistent with an amorphous-to-crystalline transformation. Although macroscopic consolidation and local densification occur at 1400°C, volatilization and accompanying weight loss limit bulk densification. The effect of temperature on specific surface area is examined and related to the sintering process. These results are applicable to pyrolysis, decomposition, and crystallization studies of ceramics synthesized by polymeric precursor routes.     

An improved light attenuation technique for measuring large interfacial areas

A laser-based light attenuation technique was successfully used to measure interfacial areas as high as 5832 m²/m³ and Sauter mean bubble diameter varying between 50 and 5600 μm. Good agreement between this approach and the photographic technique was obtained particularly at low gas holdups.     

Studies on high-performance blended/multiblended cements and their durability characteristics

Number of blends were prepared by intergrinding clinker, gypsum, fly ash, calcined clay, microsilica and limestone in laboratory ball mill in varying percentages, and their physical properties such as fineness, consistency, setting time and compressive strength have been determined. The durability tests on selected compositions were also conducted by exposing the mortar cubes separately in 5% Na₂SO₄ and 5% NaCl solutions till the age of 90 and 180 days. The performance was observed by compressive strength development criteria after various length of exposure. Results have been discussed and found that the durability of blended cement is higher than the ordinary Portland cement.     

High resolution XPS characterization of chemical functionalised MWCNTs and SWCNTs

High resolution XPS analysis of chemical functionalised multi-wall carbon nanotubes (MWCNTs) and single wall carbon nanotubes (SWCNT) was done with ESCA300 (overall instrument resolution of 0.35 eV). Information to the degree of functionalisation was ascertained by argon ion bombardment of the samples followed by XPS analysis to detect the functional groups, the percentage atomic concentration of various elements present and whether or not the detected functional groups imposed a chemical shift on the CNT atoms. The results show that true chemical functionalisation was achieved and by argon ion bombardment these functional groups can be altered relative to the C 1s carbon atoms of the CNT. The choice of chemicals used for functionalisation, the techniques employed and the types of nanotubes treated are important factors in chemical characterisation. The carbon atom on the nanotube ring to which the functional group (atom) is bonded, the chirality of the CNT, the electronegativity of the functional group, the bond type and whether the CNT is single-wall or multi-wall, or cut (short) could play a role in determining the chemical shift on the CNTs atoms. These investigations are relevant to chemical functionalisation of carbon nanotubes for various applications for example DNA sensors and other biomedical sensors.