Theoretical study on a kind of cyclization mechanism of boron trichloride and hexamethyldisilazane to form the borazine ring for SiBCN ceramics precursor

Borazine rings act as a pivotal part in siliconboroncarbonitride ceramics (SiBCN) for high-temperature stability and great resistance to crystallization. A detailed investigation of the ring formation mechanism will guide the design and synthesis of SiBCN to meet application requirements under extreme conditions. Boron trichloride (BCl₃) and hexamethyldisilazane (HN(SiMe₃)₂) are common raw materials for the synthesis of precursors for SiBCN. In this paper, quantum chemical calculation was used to study the cyclization reaction mechanism between BCl₃ and HN(SiMe₃)₂ to form trichloroborazine (TCBZ) at the MP2/6-31G (d,p) level of theory. We discussed the structure properties, reaction pathways, energy barriers, reaction rates, and other aspects in detail. The results show that BCl₃ and HN(SiMe₃)₂ alternately participate in the reaction process, accompanied by the release of trimethylchlorosilane (TMCS), and that the entire reaction shows an absolute advantage in terms of energy. In the Step by step reaction, lower reaction barriers are formed due to the introduction of BCl₃ with more heat released compared to that for the introduction of HN(SiMe₃)₂. The final single-molecule cyclization and TMCS elimination steps are found to be faster compared to all previous bimolecular reactions.     

Feasibility of high performance in p-type Ge1−xBixTe materials for thermoelectric modules

GeTe is a promising candidate for the fabrication of high-temperature segments for p-type thermoelectric (TE) legs. The main restriction for the widespread use of this material in TE devices is high carrier concentration (up to ∼ 10²¹ cm⁻³), which causes the low Seebeck coefficient and high electronic component of thermal conductivity. In this work, the band structure diagram and phase equilibria data have been effectively used to attune the carrier concentration and to obtain the high TE performance. The Ge_1−xBi_xTe (x = 0.04) material prepared by the Spark plasma sintering (SPS) technique demonstrates a high power factor accompanied by moderate thermal conductivity. As a result, a significantly higher dimensionless TE figure of merit ZT = 2.0 has been obtained at ∼ 800 K. Moreover, we are the first to propose that application of the developed Ge_1−xBi_xTe (x = 0.04) material in the TE unicouple should be accompanied by SnTe and CoGe₂ transition layers. Only such a unique solution for the TE unicouple makes it possible to prevent the negative effects of high contact resistance and chemical diffusion between the segments at high temperatures.     

一种X射线环焊缝图像质量评价方法

为了缩小增强后环焊缝图像质量主客观评价的差距,提出了一种基于人眼视觉的无参考质量评价指标。通过分析人眼的视觉特性,建立图像模糊评价模型,设定主观评价方法;主客观评价值进行曲线拟合,经验证,评价结果与主观评价结果具有线性拟合关系,评价结果接近人眼最佳视觉,验证了评价指标的可行性。     

Simulation studies on a rotating ring disk electrode: Effects of ionic migration with kinetic complication-disk results

In continuation to my previous work (Guha S. AIChE J. 2013;59(4):1390-1399), in this work, effects of ionic migration are evaluated for disk region of a rotating ring disk electrode system by numerically solving complex differential equations, developed for mass transfer along with kinetic complication in presence of ionic migration under limiting current condition. The system for simulation is 0.01 M Fe₂(SO₄)₃ solution with H₂SO₄ as supporting electrolyte. Simulation cases are presence and absence of ionic migration with kinetic complication (oxidation of Fe²⁺ to Fe³⁺ under O₂ pressure). Results show that concentration boundary layer thickness of reactant Fe³⁺ reduces appreciably and steady-state disk current reduces substantially in presence of migration. Simulated steady-state disk current in absence of migration case agrees well with published data. Results indicate higher Fe²⁺ concentration in presence of migration and thereby higher rate of oxidation of Fe²⁺ to Fe³⁺ at all rate constant values.     

木片筛余物高得率半化学法清洁制浆技术研究

以太阳纸业备料车间木片筛选碎料（筛余物）为原料，对其烧碱法半化学制浆的实验室工艺和生产试验进行了研究。结果表明，筛余物采用半化学法制浆可获得较高得率和环压强度的纸浆，且用碱量对纸浆性能有显著影响。相对8%NaOH （相对于绝干原料）化学预处理，采用14%NaOH化学预处理结合两段浆浓22%的高浓磨浆工艺，所制半化学浆抄造浆张的裂断长和环压指数分别达2.89 km和9.76 N·m/g，是前者的1.9倍和1.2倍，而且优于现用国内OCC废纸浆抄造浆张；生产试验得到的浆张性能指标与实验室相吻合，其中紧度和环压强度分别达到GB/T 13023—2008瓦楞芯（原）纸AA级和A级优等品要求。     

基于VERICUT的偏心放置分段式齿圈铣齿方法研究

为解决大直径且齿宽较宽的分段式齿圈的铣齿问题,提出采用偏心放置的主程序调用子程序循环加工的铣齿方法。根据主程序数学模型和子程序数学模型构建偏心放置铣齿方法的数学模型,基于VERICUT的仿真模型和仿真主、子程序,实现齿槽的开粗和精铣仿真加工;通过VERICUT对比分析功能模块,以齿面残留模型为依据,验证了偏心放置铣齿方法的可行性。     

热效应影响下浮环轴承润滑静特性研究

建立计入热效应的浮环轴承流体动压润滑模型,利用数值差分法联立求解雷诺方程,进而求解浮环轴承端泄流量;通过与实验数据的对比,验证所建模型的正确性;考虑浮环受热膨胀变形的影响,研究供油温度对摩擦功耗、温升、浮动环转速、端泄流量等浮环轴承润滑静特性参数的影响。结果表明:提高润滑油供油温度会明显提升浮动环旋转速度,增大轴承内间隙的供油量,减小内外油膜摩擦功耗和端泄温升;端泄温升随轴颈转速的升高而增大,温升随轴颈转速变化的幅度在采用较低温度的润滑油时表现得更为剧烈。     

不同类型断层控制油气垂向富集的差异——以渤海湾盆地歧口凹陷歧南斜坡区为例

渤海湾盆地历经多期构造变动，断层圈闭发育普遍。断层作为断层圈闭的边界条件，在油气成藏过程中起着至关重要的作用。以断层圈闭较发育的歧南斜坡区为例分析了同向断层和反向断层控制油气垂向富集的差异，基于三维地震资料，从断层形成过程和断层圈闭分布出发，剖析了断层遮挡圈闭的成因及分布规律。结合油水分布规律，基于油藏解剖并应用储层定量荧光技术明确了不同类型断层控藏的差异及其形成机理。研究表明：①断层分段生长作用和断层上盘与下盘的差异活动是同向断层控制下断层遮挡圈闭形成的主要原因，斜坡区反向断层控制形成的断层圈闭则是断块掀斜翘倾作用所致；②同向断层圈闭发育在断层上盘分段点位置，只有当同向断层进入"硬连接"阶段方可形成断层圈闭，反向断层圈闭形成在断层下盘，在反向断层活动初期便可形成；③同向断层既可以控制油气在多套含油气系统中聚集成藏，也可在一套含油气系统中富集，而反向断层往往控制油气在一套含油气系统中富集；④不同类型断层控制油气垂向聚集的差异与圈闭发育位置以及断-盖配置有关。采用泥岩涂抹系数对沙河街组一段中部盖层控制的含油气系统的垂向调整进行定量评价，泥岩涂抹系数低于3.5时油气保存，泥岩涂抹系数高于3.5时油气垂向渗漏。