疏松砂岩油藏大孔道定性识别新方法研究

疏松砂岩油藏在长期注水开发过程中,往往伴随着大孔道的出现,这严重影响了油藏水驱开发效果,制约了采出程度的进一步提高,因此,大孔道识别及有效封堵成为该类油藏急需解决的关键问题.通过研究分析,确定了影响大孔道从形成到发展的7种主要静态因素,以及标志大孔道形成的6种主要动态因素.将层次分析法及灰色关联法相结合,分别计算静态及动态因素的权重,建立了全新的大孔道定性识别模型.示踪剂监测结果验证了该方法的实用性和有效性.     

Geochemistry of Clayey Aquitard Pore Water as Archive of Paleo-Environment,Western Bohai Bay

The record of paleo-environment in clayey aquitard pore water is much more effective relative to aquifer groundwater owing to the low permeability of clayey aquitard. Oxygen-18 (18O), deuterium (D), an...     

A simple three‐wave approximate Riemann solver for the Saint‐Venant‐Exner equations

Erosion and sediments transport processes have a great impact on industrial structures and on water quality. Despite its limitations, the Saint‐Venant‐Exner system is still (and for sure for some years) widely used in industrial codes to model the bedload sediment transport. In practice, its numerical resolution is mostly handled by a splitting technique that allows a weak coupling between hydraulic and morphodynamic distinct softwares but may suffer from important stability issues. In recent works, many authors proposed alternative methods based on a strong coupling that cure this problem but are not so trivial to implement in an industrial context. In this work, we then pursue 2 objectives. First, we propose a very simple scheme based on an approximate Riemann solver, respecting the strong coupling framework, and we demonstrate its stability and accuracy through a number of numerical test cases. However, second, we reinterpret our scheme as a splitting technique and we extend the purpose to propose what should be the minimal coupling that ensures the stability of the global numerical process in industrial codes, at least, when dealing with collocated finite volume method. The resulting splitting method is, up to our knowledge, the only one for which stability properties are fully demonstrated.     

高校图书馆人力资源建设问题研究

在图书馆的五要素中,人力资源是图书馆的重要组成要素,没有高素质的人力资源队伍,高效图书馆的建设也就成了一句空话,文章论述了人力资源的含义,对人力资源建设的重要性进行了分析,对图书馆人力资源建设方面提出了一些建议和方案。     

高校图书馆服务与MOOC融合发展研究

介绍了MOOC的基本概念及其发展情况，探讨了MOOC时代高校图书馆的角色定位，分析了MOOC时代高校图书馆的独特优势，指出高校图书馆只有与MOOC融合发展，才能适应信息化社会的需要。     

六角螺系统的 Harmonic 指标

图G的 Harmonic指标定义为图G 中所有边uv 的权重2du＋dv 的和，用 H（G）表示；二阶Harmonic指标被定义为图G中所有二长路uvw的权重3du＋dv＋dw 的和，用2H（G）表示；其中du表示G中点u的度数。该文研究了六角螺链和六角螺系统的 Harmonic 指标，发现它们的极图不唯一。通过研究二阶 Harmonic指标，确定了六角螺链的极图，发现六角螺系统的极图是一类特定的图。并且找到一个关于Harmonic 指标的极图和二阶 Harmonic 指标的极图的关系。最后，提出一个关于 Harmonic 指标的开放新问题。     

Theory of chemical bonds in metalloenzymes XXII: a concerted bond-switching mechanism for the oxygen–oxygen bond formation coupled with one electron transfer for water oxidation in the oxygen-evolving complex of photosystem II

ABSTRACT

QM(UB3LYP)/MM(AMBER) calculations were performed for the locations of the transition structure (TS) of the oxygen–oxygen (O–O) bond formation in the S₄ state of the oxygen-evolving complex (OEC) of photosystem II (PSII). The natural orbital (NO) analysis of the broken-symmetry (BS) solutions was also performed to elucidate the nature of the chemical bonds at TS on the basis of several chemical indices defined by the occupation numbers of NO. The computational results revealed a concerted bond switching (CBS) mechanism for the oxygen–oxygen bond formation coupled with the one-electron transfer (OET) for water oxidation in OEC of PSII. The orbital interaction between the σ-HOMO of the Mn(IV)₄–O₍₅₎ bond and the π*-LUMO of the Mn(V)₁=O₍₆₎ bond plays an important role for the concerted O–O bond formation for water oxidation in the CaMn₄O₆ cluster of OEC of PSII. One electron transfer (OET) from the π-HOMO of the Mn(V)₁=O₍₆₎ bond to the σ*-LUMO of the Mn(IV)₄–O₍₅₎ bond occurs for the formation of electron transfer diradical, where the generated anion radical [Mn(IV)₄–O₍₅₎]^-? part is relaxed to the ?Mn(III)₄?…?O₍₅₎^- structure and the cation radical [O₍₆₎=Mn(V)₁]⁺ ? part is relaxed to the ⁺O₍₆₎–Mn(IV)₁? structure because of the charge-spin separation for the electron-and hole-doped Mn–oxo bonds. Therefore, the local spins are responsible for the one-electron reductions of Mn(IV)₄->Mn(III)₄ and Mn(V)₁->Mn(IV)₁. On the other hand, the O₍₅₎^- and O₍₆₎⁺ sites generated undergo the O–O bond formation in the CaMn₄O₆ cluster. The Ca(II) ion in the cubane- skeleton of the CaMn₄O₆ cluster assists the above orbital interactions by the lowering of the orbital energy levels of π*-LUMO of Mn(V)₁=O₍₆₎ and σ*-LUMO of Mn(IV)₄–O₍₅₎, indicating an important role of its Lewis acidity. Present CBS mechanism for the O–O bond formation coupled with one electron reductions of the high-valent Mn ions is different from the conventional radical coupling (RC) and acid-base (AB) mechanisms for water oxidation in artificial and native photosynthesis systems. The proton-coupled electron transfer (PC-OET) mechanism for the O–O bond formation is also touched in relation to the CBS-OET mechanism.     

Enhancing the Water Stability of Al‐MIL‐101‐NH2 via Postsynthetic Modification

The resistance of metal–organic frameworks towards water is a very critical issue concerning their practical use. Recently, it was shown for microporous MOFs that the water stability could be increased by introducing hydrophobic pendant groups. Here, we demonstrate a remarkable stabilisation of the mesoporous MOF Al‐MIL‐101‐NH₂ by postsynthetic modification with phenyl isocyanate. In this process 86 % of the amino groups were converted into phenylurea units. As a consequence, the long‐term stability of Al‐MIL‐101‐URPh in liquid water could be extended beyond a week. In water saturated atmospheres Al‐MIL‐101‐URPh decomposed at least 12‐times slower than the unfunctionalised analogue. To study the underlying processes both materials were characterised by Ar, N₂ and H₂O sorption measurements, powder X‐ray diffraction, thermogravimetric and chemical analysis as well as solid‐state NMR and IR spectroscopy. Postsynthetic modification decreased the BET equivalent surface area from 3363 to 1555 m² g^?1 for Al‐MIL‐101‐URPh and reduced the mean diameters of the mesopores by 0.6 nm without degrading the structure significantly and reducing thermal stability. In spite of similar water uptake capacities, the relative humidity‐dependent uptake of Al‐MIL‐101‐URPh is slowed and occurs at higher relative humidity values. In combination with ¹H‐²⁷Al D ‐HMQC NMR spectroscopy experiments this favours a shielding mechanism of the Al clusters by the pendant phenyl groups and rules out pore blocking.     

三维打印器件后处理液研究

分析了不同的填充强化剂(后处理A液)、不同的后处理B液基料、后处理B液中水性环氧乳液的掺量及后处理液浸泡时间对石膏基打印器件耐水性、抗压强度、尺寸偏差、表面微观结构的影响.结果表明:经纳米硅超硬固化剂处理后的打印器件抗压强度大幅提高,纳米硅超硬固化剂最适宜作为后处理A液;水性聚氨酯乳液PU-202B最适宜作为后处理B液的基料;后处理B液中加入水性环氧乳液,处理后打印器件的抗压强度增加、吸水率降低,但水性环氧乳液含量增加到一定程度后会出现尺寸偏差;后处理A、B液最佳浸泡时间分别为130 s和35 s;先浸泡后处理A液、后浸泡后处理B液的打印器件具有抗压强度高、吸水率小、表面较光滑、不脱粉等优良性能.