金属配合物与核酸作用机理的理论计算

通过计算机模拟金属配合物与核酸作用机理,对其理论模型能量计算和结构优化。在不同的化学环境条件下得到不同的实验模拟结果,对真实的化学反应过程有重要的指导意义和参考意义。通过Gaussian03,Gauss View等软件的结合应用,分别应用于优化计算和理论建模,熟悉了对化学软件操作应用。     

采油树平板闸阀柔性密封圈结构优化设计

为了提高采油树平板闸阀密封圈的密封性能,在泛塞封的基础上,设计一种密封圈本体唇边开有锯齿状凸起的新型柔性密封结构;运用有限元分析方法模拟密封圈的工作状况,分析柔性密封结构特性参数对密封圈密封性能的影响,获得不同柔性密封圈结构参数下密封面间接触应力分布规律,并对新型密封结构进行优化。结果表明:密封面间最大接触应力随唇边锯齿数量、唇边夹角度数的增大而增大,随唇谷夹角度数的增大而减小;新型密封结构选择锯齿数量为3、唇边夹角为20°、唇谷夹角为30°的特性参数时,其最大接触应力比常规Y形密封圈提高了15倍;新型柔性密封结构的密封圈与阀杆、阀盖壁面间接触应力比常规Y形密封圈有显著提高,提高了密封圈的密封性能。     

The origin of the modulated structure in Sr2CuO3+δ (δ = 0.4): [CuO2] in-plane oxygen vacancy or apical oxygen vacancy?

We propose the question of the modulated structures of copper oxide is caused by the [CuO₂] in-plane oxygen vacancy or apical oxygen vacancy. Sr₂CuO_3+δ single-crystal samples were prepared using high-temperature and high-pressure methods. The major phase of Sr₂CuO_3+δ (δ = 0.4) single-crystal system is found to be constituted by the 5 a modulated structure with the Fmmm space group, which originates from the [CuO₂] in-plane oxygen vacancy appearing in octahedral Cu-O. Besides, the presence of the [CuO₂] in-plane oxygen vacancy may obliterate the superconductivity of the system. Experimental results deduce that the oxygen vacancy may appear in the apical oxygen sites in high-temperature copper oxide superconductors.     

Influences of magnetic fields on current–voltage characteristics of gold-DNA-gold structure with variable gaps

Achieving highly sensitive magnetic sensors by means of Metal-DNA-Metal (MDM) structure is a key issue. DNA, being a genetic information carrier in living cells reveals tunable semiconducting response in the presence of external electric and magnetic fields, which is promising for molecular electronics. The influence of magnetic fields up to 1200 mT on the current–voltage (I–V) behavior of Gold-DNA-Gold (GDG) structure having variable gap sizes from 20–50 μm are reported in this work. These structures were fabricated using UV lithography, DC magnetron sputtering and thermal evaporation techniques. DNA strands were extracted from Boesenbergia rotunda plant via standard protocol. The acquired I–V characteristics display the semiconducting diode nature of DNA in GDG structures. The potential barrier for all the structures exhibit an increasing trend with the increase of externally imposed magnetic field irrespective of variable gap sizes. Furthermore, the potential barrier in GDG junction at higher magnetic field strengths (>1000 mT) is found to be considerably enhanced. This enhancement in the junction barrier height at elevated magnetic fields is attributed to the reduction of carrier mobility and augmentation of resistance. The achieved admirable features of magnetic sensitivity suggest the viability of using these GDG sandwiches as a prospective magnetic sensor.     

Development of structurally modified OER catalysts with enhanced performance and longevity for PEM-based electrolytic air dehumidification

PEM-based electrolytic air dehumidification is innovative in dehumidification that requires high precision and small space due to its high efficiency, compactness, and cleanness. However, the system dehumidification performance and durability are limited by using commercial Anatase-IrO₂ catalysts. In this study, two types of structurally modified OER catalyst materials, ATO-IrO₂ and ND-MnO₂-IrO₂, are developed to improve the performance of the system. System experiments showed that, compared to the commercial catalysts, the use of ATO-IrO₂ and ND-MnO₂-IrO₂ as the anode catalyst can improve the dehumidification performance by 45% and 20%, respectively. Furthermore, in 50-h accelerated aging tests, the attenuation rates of the ATO-IrO₂ and ND-MnO₂-IrO₂ systems are 3% and 8% respectively, which are far lower than the 35% attenuation of commercial catalyst. The results indicate that, as catalysts with a classic core-shell structure, ATO-IrO₂ and ND-MnO₂-IrO₂ still have a significant impact on improving the performance of the electrolytic dehumidification systems.     

Owner’s Risk Allocation and Contractor’s Role Behavior in a Project: A Parallel-mediation Model

Risk allocation decisions are of critical importance in project management. The present study proposes an explanation for how risk allocation in a contract motivates a contractor to cooperate with a project owner. Theories of risk allocation and trust were used to motivate the research. Using a survey methodology, we collected data concerning 124 construction projects in China. We found that risk allocation influenced the contractor’s role behavior through the contractor’s feeling of being trusted but not the contractor’s trust in the owner. Feeling of being trusted partially mediated the effect of risk allocation on the contractor’s in-role (i.e., contractual) behavior and fully mediated the effect on extra-role behavior. The study introduces a social and psychological view of the impacts of risk allocation to the project and engineering management literature. We contribute to theory by arguing and demonstrating the mediating effect of trust on the relationship between risk allocation and contractor behavior. From a practical standpoint, we conclude that contractual risk allocation has a significant impact on building a trusting relationship between owners and contractors and that contractors who feel trusted perform both contractually mandated actions and actions external to the contract more diligently, resulting in the likelihood of improved outcomes for both parties.     

抽油井不压井作业装置及抽油泵底阀设计

江苏油田的部分油井存在油管短路、地层高压低渗、漏失严重等问题,这些问题造成压井作业困难,并且压井作业过程中的井控与环境污染风险较大。为了进行不压井检泵作业,同时缩短检泵之后的产量恢复周期,进行了不压井作业技术研究,并研制了不压井作业装置。为解决起下抽油杆过程中的防喷问题,改进了抽油泵底阀结构,该结构可实现起下抽油杆过程中油管不带压、无溢流,并保障起下油管过程中的井控安全。该技术在江苏油田现场应用9井次,效果良好。     

葛洲坝水利枢纽泄水建筑物进水口冲磨与修复

葛洲坝水利枢纽工程已运行20余年，近年水下检查中发现泄水建筑物进水口存在不同程度的冲磨，有些已威胁到建筑物安全运行，分析冲磨原因和探讨修复材料和手段是非常重要的，本文就此问题提出一些看法和建议供参考。     

构皮滩水电站泄洪洞优化设计

构皮滩水电站为满足2008年12月工程提前发电的需要,结合现有泄洪洞地质情况和施工情况对泄洪洞布置进行了专题研究,结果表明利用降低进口高程为550 m的泄洪洞和坝身放空底孔联合参与后期导流,可缓解2007年导流隧洞下闸封堵后大坝在2008年汛期施工的压力,为大坝施工增加了2个月左右的工期。     

氧气底吹熔炼氧枪浅析

系统地论述了氧气底吹熔炼氧枪的结构、工作原理、设计计算方法、材质及蚀损机理．指出了延长氧枪使用寿命的措施。