苯在Ru-Zn/Ru（0001）合金表面上的吸附——密度泛函研究

为了理解苯在Ru-Zn合金催化剂上的部分加氢催化机理,采用密度泛函方法对苯在Ru-Zn/Ru（0001）面上的吸附进行理论研究。计算结果表明,当苯的碳原子或者共轭双键直接位于表面Zn原子的atop位时,其吸附热较Ru（0001）面上的类似吸附状态下降约60%.Zn原子与苯环C原子之间的排斥作用导致苯环的成键轨道与表面Ru原子的价层轨道之间的空间对称性下降,从而不利于苯与合金表面的键合。当吸附位离开Zn原子时,邻近Zn原子对于苯的吸附基本没有影响。     

The controlling factors and distribution prediction of H2S formation in marine carbonate gas reservoir, China

Generally, there are some anhydrites in carbonate reservoir, as H2S is also familiar in carbonate oil and gas reservoirs. Nowadays, natural gas with high H2S concentration is usually considered as TSR origin, so there is close relationship between H2S and anhydrite. On the contrary, some carbonate rocks with anhydrite do not contain H2S. Recently, researches show that H2S is only a necessary condition of H2S formation. The reservoir porosity, sulfate ion content within formation water, reservoir temperature, oil/gas and water interface, hydrocarbon and some elements of reservoir rock have great controlling effects on the TSR occurrence. TSR deoxidizes hydrocarbon into the acidic gas such as H2S and CO2, and the H2S formation is controlled by TSR occurrence, so the relationship among reaction room, the contact chance of sulfate ion and hydrocarbon, the reservoir temperature has great influence on the TSR reaction. H2S has relatively active chemical quality, so it is still controlled by the content of heavy metal ion. Good conditions of TSR reaction and H2S preservation are the prerequisite of H2S distribu- tion prediction. This paper builds a predictive model based on the characteristic of natural gas reservoir with high H2S-bearing. In the porosity reservoir with anhydrite, the formation water is rich in sulfate and poor in heavy metal ion. Oil and gas fill and accumulate in the gas reservoir with good preservation conditions, and they suffered high temperature later, which indicates the profitable area of natural gas with high H2S-bearing.     

浅析营业杠杆系数及其经济应用

本文介绍了营业杠杆系数这一衡量企业经营风险的重要指标，对该指标的特性进行了较深入的分析和探讨。同时，还导出了利用该指标判断企业经营安全状态的方法。     

新的基团法估算沸点下蒸发焓

提出了估算沸点下蒸发焓的含基团重量分率的基团法和估算式，拟合团贡献值，对３８５种有机物的计算平均偏差约为１．５％。所提出的新方法明显优于３种对应状态和用蒸发熵的基团法。     

企业文化定位的影响因素分析

通过讨论企业性质、企业能动要素价值的变迁以及企业的素质和外部环境状况对企业文化定位的影响,认为不同的企业都有其独特的个性,因而企业文化必须根据企业的素质和外部环境的状况以及所处的生命周期阶段来定位,确立其实际的内容.     

Functional magnetic resonance imaging of amphetamine craving

The aim of this study is to identify the brain activity associated with amphetamine craving for understanding the neurobiology of addiction by watching pictures of happy, sad or amphetamine. Brain activity was measured in 12 amphetamine addicts and 12 healthy subjects by fMRI while the subjects watched pictures designed to elicit happy feelings, sad feelings, or the desire to use amphetamine. The result demonstrated that amphetamine cues led to abnormally high cingulate and low frontal lobe activation in amphetamine addicts, who showed abnormalities in affect-related brain activation.     

功能性粘胶纤维及其织物的研究

简述TiO2、ZnO陶瓷粉纳米材料的性能、TiO2、ZnO陶瓷粉纳米功能性粘胶纤维的研制方法及含TiO2、ZnO等陶瓷粉纳米功能性粘胶纤维及其织物的性能分析.试验表明,用纳米材料制成的粘胶长丝与绦纶长丝复合丝(3.4tex/30f)制成的织物耐洗色率度、耐摩色率度、耐汗渍色牢度、燃烧性能均有不同程度改善,织物的服用性能提高,并具有屏蔽和抗菌性能.     

数学规划模型的建模语言（FQL）

对数学规划模型的结构作了深入分析。从纵向揭示了数学规划模型自然、清晰的层次结构；横向又把复合模型分解成若干基本模型，而基本模型又可由决策用户十分熟悉的二维形式加以描述。在此基础上，给出了建模语言（ＦＱＬ）的语法和语义。它除了具有建模能力外，消除了代数形式的索引；更重要的是具有数据库查询和模型操作能力。     

常系数线性中立型微分方程周期解存在唯一的充要条件

本文利用Fourier级数讨论具有常系数的任意阶中立型泛函微分方程的周期解，除一种特殊情况外，我们得到了用有限代数方程组描述的周期解存在唯一性的充要条件，对这种特例，我们也得到了若干实用结果．