Blocked crystallization in capped ultrathin polymer films studied by molecular simulations

The crystallization of capped ultrathin polymer films is closely dependent on film thickness and interfacial interaction. Using dynamic Monte Carlo simulations, the crystallization behaviors of polymer films confined between two substrates were investigated. The crystallization rate of confined polymers is reduced with high interfacial interactions. Above a critical strength of interfacial interaction, polymer crystallization in the thin film is inhibited within the simulation time scales. An increase in film thickness leads to a rise in critical interfacial interaction. In thicker films, the chains have more space to change conformation to form crystal stems. In addition, there are fewer absorbed segments in confined chains for the thicker films, and thus the chains have stronger ability to adjust their conformation. Therefore an increase in film thickness can cause a reduction in the entropic barrier required for the formation of crystals and thus an increase in the critical interfacial interaction. © 2018 Society of Chemical Industry     

济阳坳陷下古生界潜山油气藏特征及成藏模式

济阳坳陷下古生界潜山具有多样性、复杂性的特点，潜山差异性的形成演化、油气成藏主控因素和控藏模式不明确，严重制约了该区潜山油气勘探。在潜山分类的基础上，综合利用系统恢复、分类对比和典型解剖等方法，揭示了济阳坳陷下古生界不同类型潜山的形成演化过程和油气成藏主控因素差异性，分类建立了油气成藏模式。研究表明，济阳坳陷下古生界主要发育高位新盖侵蚀残丘潜山、中位古盖拉张断块潜山、中位新古盖拉张剪切断块潜山、中位中古盖挤压拉张断块潜山和低位古盖拉张滑脱断块潜山5种潜山类型。不同类型潜山的形成演化和油气成藏各具特色，其中，高位新盖侵蚀残丘潜山的发育受隆升、侵蚀作用控制，油气成藏主要受控于油源和盖层条件，表现为"单向供烃、砂体-不整合岩溶体联合输导、残丘控藏"的成藏模式；中位古盖拉张断块潜山的发育受掀斜、断裂作用控制，油气成藏主要受控于储集条件，表现为"单向供烃、顺向断层输导、反向断层控藏"的成藏模式；中位新古盖拉张剪切断块潜山的发育受反转、翘倾和走滑切割作用控制，油气成藏主要受控于输导条件，表现为"多源供烃、断溶体立体输导、断裂控藏"的成藏模式；中位中古盖挤压拉张断块潜山的形成受强烈挤压、拉张滑脱作用控制，油气成藏主要受控于储集条件，表现为"多源供烃、断缝体输导、断褶控藏"的成藏模式；低位古盖拉张滑脱断块潜山的形成受强烈拉张滑脱作用控制，油气成藏主要受控于输导条件，表现为"顶部供烃、断缝体输导、断裂控藏"的成藏模式。     

Multiply Charged Conjugated Polyelectrolytes as a Multifunctional Interlayer for Efficient and Scalable Perovskite Solar Cells

A series of anionic conjugated polyelectrolytes (CPEs) is synthesized based on poly(fluorene-co-phenylene) by varying the side-chain ionic density from two to six per repeat units (MPS2-TMA, MPS4-TMA, and MPS6-TMA). The effect of MPS2, 4, 6-TMA as interlayers on top of a hole-extraction layer of poly(bis(4-phenyl)-2,4,6-trimethylphenylamine (PTAA) is investigated in inverted perovskite solar cells (PeSCs). Owing to the improved wettability of perovskites on hydrophobic PTAA with the CPEs, the PeSCs with CPE interlayers demonstrate a significantly enhanced device performance, with negligible device-to-device dependence relative to the reference PeSC without CPEs. By increasing the ionic density in the MPS-TMA interlayers, the wetting, interfacial defect passivation, and crystal growth of the perovskites are significantly improved without increasing the series resistance of the PeSCs. In particular, the open-circuit voltage increases from 1.06 V for the PeSC with MPS2-TMA to 1.11 V for the PeSC with MPS6-TMA. The trap densities of the PeSCs with MPS2,4,6-TMA are further analyzed using frequency-dependent capacitance measurements. Finally, a large-area (1 cm²) PeSC is successfully fabricated with MPS6-TMA, showing a power conversion efficiency of 18.38% with negligible hysteresis and a stable power output under light soaking for 60 s.     

AutoCAD、StruCAD 3D及SolidWorks软件在石油井架、底座强度校核中的应用

分别使用AutoCAD、StruCAD 3D及Solid Works软件在石油井架、底座校核中进行强度分析,AutoCAD软件的主要优势在工程制图领域,兼具强度分析功能,适用于单个形状比较规则的型材强度分析;StruCAD 3D是专门针对大型钢结构进行强度校核的分析软件,具有强大的计算处理功能,兼具风载处理能力,在处理大型、复杂结构的时候应优先考虑应用该软件;当遇到需要进行实体造型、模拟实际情况进行校核时,SolidWorks软件较为方便,可以直观地看到应变情况。     

Excellent destabilization effect and ideal desorption temperature in the hydride Mg2FeH6 substituted with yttrium; a first principles study

We investigated some properties of the hydride Mg₂FeH₆ substituted with yttrium by a first principles calculation. Some experimental results showed that 4d transition metal, yttrium serves as a good catalyst for magnesium based hydrogen storage alloys, but there are a few theoretical studies about magnesium based hydrides substituted with it. Mg₂FeH₆ is regarded as a cheaper material than pure MgH₂, while it is crystalized into Fm3m structure (space group 225). Although it has high hydrogen storage capacity, many investigations have not been devoted to it due to its extremely high thermodynamic stability. The yttrium substituted Mg₂FeH₆ exhibits very low energy of formation, and its desorption temperature, 75 °C is very suitable for practical hydrogen storage applications. Our results showed that Mg₂FeH₆ is destabilized effectively by yttrium substitution and introducing vacancy defects has additive effect to the improvement of dehydrogenation performance.     

Characterization of a Tryptophan 6-Halogenase from Streptomyces albus and Its Regioselectivity Determinants

Tryptophan halogenases are found in diverse organisms and catalyze regiospecific halogenation. They play an important role in the biosynthesis of halogenated indole alkaloids, which are biologically active and of therapeutic importance. Here, a tryptophan 6-halogenase (SatH) from Streptomyces albus was characterized by using a whole-cell reaction system in Escherichia coli. SatH showed substrate specificity for chloride and bromide ions, leading to regiospecific halogenation at the C6-position of l -tryptophan. In addition, SatH exhibited higher performance in bromination than that of previously reported tryptophan halogenases in the whole-cell reaction system. Through structure-based protein mutagenesis, it has been revealed that two consecutive residues, A78/V79 in SatH and G77/I78 in PyrH, are key determinants in the regioselectivity difference between tryptophan 6- and 5-halogenases. Substituting the AV with GI residues switched the regioselectivity of SatH by moving the orientation of tryptophan. These data contribute to an understanding of the key residues that determine the regioselectivity of tryptophan halogenases.     

Pressure drop and optimization meta-models for arbitrary low-height pleated filter shapes and flowrates

Journal of Mechanical Science and Technology - This study delivers equations useful for low-height pleated fibrous filter design: two pressure drop equations and one set of optimum design equations...