磁性硅铁载铜吸附Hg0动力学机制及密度泛函研究

采用粉末冶金法将纳米单质铜(Cu⁰)、硅铁(FeSi)、四氧化三铁硅涂层(Fe₃O₄@SiO₂)混合煅烧并制备出新型磁性硅铁载铜吸附剂MagFeSi-Cu⁰。实验研究不同烟气温度下MagFeSi-Cu⁰的汞吸附能力基础上,结合颗粒内扩散模型、准二阶动力学模型、Elovich模型及Bangham模型分析了MagFeSi-Cu⁰吸附Hg⁰过程的主要控制步骤。在此基础上,依据密度泛函理论(DFT)研究了不同反应温度下FeSi表面Cu⁰原子与Hg⁰原子的汞齐作用机制。研究结果表明,Bangham模型的拟合值与MagFeSi-Cu⁰汞吸附实验值拟合度最高,MagFeSi-Cu⁰表面痕量Hg⁰吸附由汞的外扩散和表面铜汞齐吸附共同控制;通过密度泛函计算,发现Cu⁰颗粒表面Cu-Hg齐吸附能为-0.534 eV,当烟气温度从80℃上升至200℃时,Hg⁰原子与单质Cu原子的吸附自由能从-22.47 kJ/mol下降至-13.96 kJ/mol,这些结果为深入了解Hg⁰在Cu(111)表面的反应机理提供了理论基础。     

Effect of pressure on elemental diffusion in sulfur–iron reaction

The reaction between sulfur and iron under high pressure and high temperature (HPHT) was studied. Sulfur–iron reaction models under different pressure levels were constructed. The morphology and formation mechanism of the reactants were comprehensively analyzed by scanning electron microscopy, energy-dispersive spectroscopy–line scanning, metallographic microscopy, and Raman spectroscopy. The results indicated that the pressure of the reaction could significantly affect the diffusion behavior of sulfur and iron during the reaction. With an increase in pressure, the diffusion of iron in the system was inhibited, whereas that of sulfur was enhanced. The pressure distribution gradient at the reaction interface was simulated by finite element calculation. The effect of pressure gradient as the driving force of the reaction on the diffusion behavior of elements was evaluated by thermodynamics combined with experimental results. Based on the experimental results, finite element simulation, and formula derivation, a new standpoint was proposed: the diffusion of substances in the HPHT system was affected by the pressure gradient at the interface.     

Dithizone,carminic acid and pyrocatechol violet dyes sensitized metal (Ho,Ba& Cd) doped TiO2/CdS nanocomposite as a photoanode in hybrid heterojunction solar cell

Considering the great importance of nanocomposite based photo-active nanomaterials for a variety of electronics, photonics and photovoltaics application, it is always worth considering to synthesize new hetreostructure. This paper describes the sol-gel and hydrothermal synthesis of metal (holmium, barium, and cadmium) doped TiO₂/CdS nanocomposites for photoanode applications. Various characterization techniques, including XRD, FTIR, UV–VIS, EDX, and SEM were used to examine the synthesized heterostructures. The band gap of pure TiO₂ NPs is 3.10 eV, which was effectively decreased to 2.16 eV by doping and coupling with CdS. The nanomaterial's crystallinity, crystallite size, morphology and elemental composition were determined by XRD, SEM and EDX, respectively. As sensitizers, the organic dyes dithizone, carminic acid, and pyrocatechol violet were used. FTIR was used to analyze the effective dye grafting on the surface of nanomaterials. In the presence of hole conducting P3HT polymer as solid state electrolyte, the sensitized materials were evaluated for solid state dye-sensitized solar cells. Compared to the reference device, Cd–TiO₂/CdS photosensitized using Pyrocatechol violet dye demonstrated the highest efficiency of 2.68% (0.82%). Other parameters of this device, including open circuit voltage (Voc) and short circuit current (Jsc), were determined to be 16.97 mA cm² and 0.41V, respectively.     

基于C#持久蠕变强度外推功能的实现

持久蠕变强度外推是预测材料在高温高压环境下工作寿命的有效方法。目前常用的外推方法有等温法和参数法。这两种方法都是通过在实验室中采用较短时间的试验，获取试验数据后，通过Excel或者MATLAB等数据处理软件进行数据的拟合处理和外推计算。这些数据归纳统计和数学建模的过程有时需要耗费试验人员的大量精力。介绍了持久蠕变强度外推的软件实现方法，该功能包含在持久蠕变试验设备配备的软件中，试验完成后，软件直接根据试验结果进行数据拟合和持久蠕变强度的外推计算，无需试验数据的统计和建模，大大提高了持久蠕变强度外推计算的效率。     

Prediction models for multiphase-flow-induced corrosion of API X80 steel in CO2/H2S environment

In the offshore oil and gas industry, mainly focusing on the use of rigid or flexible pipes of subsea infrastructure applied to risers or flowlines, one of the greatest difficulties is the interpretation of the combined effects of the various correlated phenomena (hydrodynamic effects of intermittent flow, the effects of corrosivity of the environment in addition to variations in pressure, temperature, and dynamic loading). On the basis of this scenario, defining the degree of severity of each of the correlated system variables becomes of fundamental importance for establishing reliable criteria for selecting materials for subsea application. The established flow pattern directly affects the corrosion rate (or the pipe material mass loss), but the balance of other variables including possible changes in the physical and transported fluid chemical properties may increase the damage up to an order of magnitude, which is a piece of information normally not foreseen in design criteria. Therefore, to improve the understanding of the corrosion study influenced by multiphase flow, a testing loop was designed and assembled at the Corrosion and Protection Laboratory of the Institute for Technological Research, in which API X80 steel coupons were positioned in locations with a 0° and 45° inclinations. Tests were conducted by varying the partial pressure of the gaseous phase containing blends of CO₂ and H₂S with N₂ balance, mixed with the liquid phase containing light oil and heavy oil in water with salinity (NaCl)-simulating oil well conditions with 80% water cut. The main objective of this study is to establish models that can predict the corrosion intensity in conditions close to those obtained experimentally. To achieve results, the multiple regression and Box–Cox transformation methods were applied. These models will make possible damage prediction and optimization of matrix parameters for the multiphase-loop test.     

The spheroidization process of micron-scaled α-Al2O3 powder in hydrothermal method

Understanding the spheroidization process of micron-scaled α-Al₂O₃ powder in hydrothermal method is of great importance but still not completely revealed. The results demonstrated that SO₄^2? played a significant role in the formation of spherical powder, while the bubble generated from the reaction of urea didn't work in the spheroidization process. The spheroidization process was summed up as two steps. The first was that SO₄^2? limited the hydrolysis of Al³⁺ and reacted with Al³⁺ and OH^- to form Al₄(OH)₁₀SO₄, which nucleated and agglomerated into granular precipitates. The second was Ostwald ripening, which gave the spherical precursors a double-layered structure. When the spherical precursors obtained 120 °C were sintered at 1200 °C, α-Al₂O₃ were got and the spherical morphology still maintained with a large number of nano-sized pores. We anticipate the spherical α-Al₂O₃ with nano-sized pores can be applied in adsorption and filtration industries.     

Synthesis of Hollow Three-Dimensional Channels LiNi_(0.5)Mn_(1.5)O_4 Microsphere by PEO Soft Template Assisted with Solvothermal Method

A appropriate size with three-dimension(3 D) channels for lithium diffusion plays an important role in constructing highperforming LiNi_(0.5)Mn_(1.5)O_4(LNMO) cathode materials, as it can not only reduce the transport path of lithium ions and electrons, but also reduce the side effects and withstand the structural strain in the process of repetitive Li~+ intercalation/deintercalation. In this work, an e fficient method for designing the hollow LNMO microsphere with 3 D channels structure by using polyethylene oxide(PEO) as soft template agent assisted solvothermal method is proposed. Experimental results indicate that PEO can make the reagents mingle evenly and nucleate slowly in the solvothermal process, thus obtaining a homogeneous distribution of carbonate precursors. In the final LNMO products, the hollow 3 D channels structure obtained by the decomposition of PEO and carbonate precursor in the calcination can provide abundant electroactive zones and electron/ion transport paths during the charge/discharge process, which benefits to improve the cycling performance and rate capability. The LNMO prepared by adding 1 g PEO possesses the most outstanding electrochemical performance, which presented an excellent discharge capacity of 143.1 mAh g~(-1) at 0.1 C and with a capacity retention of 92.2% after 100 cycles at 1 C. The superior performance attributed to the 3 D channels structure of hollow microspheres, which provide uninterrupted conductive systems and therefore achieve the stable transfer for electron/ion.     

Preparation and antifouling performance of thin inorganic ultrafiltration membrane via assisted sol-gel method with different composition of dual additives

A novel TiO₂ thin film was prepared on the ceramic hollow fiber by the sol-gel method using poly(vinylpyrrolidone) (PVP) and polyvinyl alcohol (PVA) as additives. SEM images verified the formation of TiO₂ layer with various thickness using different composition of titania sols. The effect of the PVP and PVA contents on the TiO₂ sol properties, the separation and the antifouling performance of the ultrafiltration membranes were investigated thoroughly. When the contents of PVP and PVA were 1.0 wt% and 0.8 wt%, respectively, the resultant membrane showed a thickness of 0.55 μm with a pure water flux of 255 L m^?2 h^?1. In addition, the adherent foulant bovine serum albumin was applied to evaluate the antifouling performance. During the three fouling-recovery cycles, the flux recovery ratio and the flux decay ratio maintained about 99% and 30%. The BSA flux and rejection were still 169 L m^?2 h^?1 and 96.9% after the cycles, indicating a superior antifouling property.     

导管架平台上部组块双船拆除

为研究复杂海域环境中海洋平台双船拆除方法的安全性与可操作性,采用水动力数值计算与水池模型试验相结合的方法进行研究。将双船水动力耦合计算与水池模型试验进行对比,在相对理想海况下,结合与实际工况接近的规则波作用,进行驳船水动力性能变化与运动响应的幅值分析。在受力分析方面,对甲板耦合装置进行改良设计,对比试验数据与数值计算数据,得到受力在合理范围内的结论。研究内容为实际施工的合理性提出一定的指导性意见。