分子模拟技术在聚合物驱油中的应用研究进展

聚合物驱油已成为老油田必要的提高采收率方法之一,但是其聚合物在地下驱油的流动机理难以明确。区别于传统实验,分子模拟技术从微观角度上在计算机上进行建模仿真-计算机实验,不仅弥补宏观实验和理论之间的空白,还具有研发周期短、低成本和低风险的优点。该研究方法具有较高灵活度,可满足复杂地层的极端条件,抵消实验和理论上的过度简化,以接近实际储层情况进行研究,甚至开展一些无法完成的实验。由于该技术的出现,探索机理的研究方法不仅多了一种,还增添了可以佐证实验与理论的工具。本文综述了分子模拟技术在油田聚合物驱油中的应用,对在聚合物驱油剂研发和黏弹驱油机理探讨两方面分别进行了阐述,揭示该技术提高聚合物驱油采收率的辅助作用。     

Evaluation of 4-(4-Fluorobenzyl)piperazin-1-yl]-Based Compounds as Competitive Tyrosinase Inhibitors Endowed with Antimelanogenic Effects

There is a considerable attention for the development of inhibitors of tyrosinase (TYR) as therapeutic strategy for the treatment of hyperpigmentation disorders in humans. Continuing in our efforts to identify TYR inhibitors, we describe the design, synthesis and pharmacophore exploration of new small molecules structurally characterized by the presence of the 4-fluorobenzylpiperazine moiety as key pharmacophoric feature for the inhibition of TYR from Agaricus bisporus (AbTYR). Our investigations resulted in the discovery of the competitive inhibitor [4-(4-fluorobenzyl)piperazin-1-yl]-(3-chloro-2-nitro-phenyl)methanone 26 (IC₅₀=0.18 μM) that proved to be ∼100-fold more active than reference compound kojic acid (IC₅₀=17.76 μM). Notably, compound 26 exerted antimelanogenic effect on B16F10 cells in absence of cytotoxicity. Docking analysis suggested its binding mode into AbTYR and into modelled human TYR.     

Recent progress of physical failure analysis of GaN HEMTs

Gallium nitride (GaN)-based high-electron mobility transistors (HEMTs) are widely used in high power and high frequency application fields,due to the outstanding physical and chemical properties of the GaN material.However,GaN HEMTs suffer from degradations and even failures during practical applications,making physical analyses of post-failure devices extremely significant for reliability improvements and further device optimizations.In this paper,common physical characterization techniques for post failure analyses are introduced,several failure mechanisms and corresponding failure phenomena are reviewed and summarized,and finally device optimization methods are discussed.     

Preparation and photocatalytic antibacterial mechanism of porous metastable β-Bi2O3 nanosheets

Effective and safe application of antibacterials has always been an important aspect for their usage. High-efficiency photocatalytic technology driven by visible light for antibacterial action constitutes a practical solution for antibacterial agents and will not harm the human body or the environment. While most studies on β-Bi₂O₃ materials with good photocatalytic properties under visible light are conducted in the field of optoelectronics, their potential and mechanism as photocatalytic antibacterial agents have not yet been fully explored. Herein, we report the performance of sheet-like metastable β-Bi₂O₃ material with rich oxygen vacancies and high electron-hole separation efficiency in antibacterial processes, as well as a preliminary exploration of its antibacterial mechanism. The results revealed that the antibacterial activity of the product against E. coli greatly improved in comparison with commercially available α-Bi₂O₃ owing to its excellent structure and optical properties. In addition, gradient experiments and scavenger experiments have confirmed that the main antibacterial effect of β-Bi₂O₃ originates from reactive oxygen species (ROS), and the superoxide radical, ·O₂⁻, of generated ROS is the key reactive species in the antibacterial process. Through the detection of lipid peroxidation and bacterial respiratory-chain dehydrogenase activity, several pathways were identified for the excellent antibacterial activity of the product.     

Influence of Mo doping on the tribological behavior of Ti3AlC2 ceramic at different temperatures

(Ti_0·8Mo_0.2)₃AlC₂ solid solutions were successfully synthesized from Ti, Al, TiC, and Mo powders using the in situ hot-pressing sintering method. The tribological properties of (Ti_0·8Mo_0.2)₃AlC₂ and the reference Ti₃AlC₂ in the temperature range 25–800 °C were evaluated in ambient air with the counterpart of Al₂O₃ balls. The results show that (Ti_0·8Mo_0.2)₃AlC₂ has improved lubricating properties and wear resistance above 400 °C compared with Ti₃AlC₂. This can be contributed to the formation of tribo-oxidation films containing MoO₃ and MoO_3-x. Structural characterization of the tribo-oxidation films was conducted using SEM, EDS, Raman spectroscopy, and XPS to evaluate the effect of Mo doping on the wear mechanisms of Ti₃AlC₂ in detail.     

Deep multi-scale adversarial network with attention: A novel domain adaptation method for intelligent fault diagnosis

Data driven-based intelligent fault diagnosis methods, as a promising approach, have been widely employed in the health management and maintenance decision of rotating machinery. However, the domain shift phenomenon caused by internal and external interference inevitably exists in practical application scenarios, which significantly deteriorates the performances of the intelligent diagnosis model. And the preparation of label information in real complex scenes is usually time-consuming and expensive. To overcome these challenges, a novel unsupervised domain adaptation framework named deep multi-scale adversarial network with attention (MSANA) is introduced for machinery fault diagnosis. It is established based on two main components, one is the shared feature generator, which is constructed by two novel multi-scale modules with attention mechanism, and the other part is a fault pattern recognition module composed of two differentiated discriminators. While the multi-scale module is used to obtain rich features through different internal perceptual scales, the attention mechanism determines the weights of different scales, which promotes the dynamic adjustment performance and adaptive ability of the model. Then, decision boundary assisted adversarial learning strategy is employed to eliminate domain distribution differences and obtain domain-invariant features. A total of ten rolling bearing-based transfer scenarios and six gearbox-based transfer scenarios are adopted to evaluate the transferability of the proposed MSANA model, and the cross-domain transfer results show that it has superior transferability and stability.     

Agglomeration Mechanism of Nanoparticles by Adding Coarse Fluid Catalytic Cracking Particles

The agglomeration mechanism of SiO₂, TiO₂, and ZnO nanoparticles by adding coarse fluid catalytic cracking (FCC) particles is studied. The core‐shell structure of agglomerates is revealed on the basis of experimental analyses. Nanoparticles can be fluidized by forming agglomerates of the core‐shell structure with coarse FCC particles. The porosity of core‐shell structure agglomerates and the average roundness value were found to be distinctly lower than those of pure nanoparticle agglomerates. In addition, the cohesion of the core‐shell structure agglomerates is far less than that of the agglomerates formed by pure nanoparticles. Due to the smaller porosity, irregular shape, and relatively low cohesion, the fluidization behavior of core‐shell structure agglomerates is better than that of pure nanoparticle agglomerates.     

Traps as interaction sites for hyperfine mixing: The origin of magnetoconductance in organic light-emitting diodes

The origin of magnetoconductance (MC) in organic light-emitting diodes under bipolar injection conditions was investigated using devices containing pristine Super-Yellow poly(phenylene vinylene) (SY-PPV) or SY-PPV:phenyl-C61-butyric acid methyl ester (PCBM) (x wt%) blends as the active layers. In pristine SY-PPV device, it was found that the low-field component of MC was always larger than the high-field component. Additionally, the low-field component increased and then saturated with increasing the electrical stressing time, whereas the high-field component remained unchanged. These behaviors were analyzed using empirical formula (containing a Lorentzian and a non-Lorentzian function), which suggested that the dominant mechanism in the MC response was hyperfine mixing between single and triplet polaron pairs that occurred on trap sites. The specific role of these traps, providing interaction sites for hyperfine mixing, was confirmed by controlling the lifetime of the trapped polaron-pairs states by doping the active layer with PCBM.