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.     

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。     

Morpholine As a Scaffold in Medicinal Chemistry: An Update on Synthetic Strategies

Morpholine is a frequently used heterocycle in medicinal chemistry and a privileged structural component of bioactive molecules. This is mainly due to its contribution to a plethora of biological activities as well as to an improved pharmacokinetic profile of such bioactive molecules. The synthesis of morpholines is a subject of much study due to their biological and pharmacological importance, with the last such review being published in 2013. Here, an overview of the main approaches toward morpholine synthesis or functionalization is presented, emphasizing on novel work which has not been reviewed so far. This review is an update on synthetic strategies leading to easily accessible libraries of bioactives which are of interest for drug discovery projects.     

基于改进型巴特勒矩阵的短波8元圆环阵列多波束技术研究

传统短波接收天线为单一的波束指向天线或全向天线。为提高接收天线增益,同时产生多个波束指向不同方向,提出利用巴特勒矩阵作为短波接收天线阵的无源波束形成网络。在传统8×8巴特勒矩阵结构的基础上,设计改进型8×8巴特勒矩阵。以均匀8元圆环阵列为天线模型,利用FEKO仿真分析了其天线特性。在3~11 MHz频段内,P2、P3、P6、P7四个端口分别在202.5°、292.5°、112.5°、22.5°方向上得到了方向性较强的单一波束,7 MHz时波束增益达到最大11.9 dBi,波瓣3 dB宽度平均为60°;在P1、P4、P5、P8端口产生相同的2个波瓣,7 MHz时其波束增益达到最大9.8 dBi,波瓣3 dB宽度平均为89°。由以上仿真分析得出,该改进型8×8巴特勒矩阵能够同时产生6个波束,波束覆盖8个方向,提高了波束的方向性,提高了天线增益。     

基于Bootstrap方法的密封寿命可靠性评估

针对高可靠、长寿命密封件在小样本试验下的可靠性寿命评估需求,提出一种基于虚拟增广样本和Bootstrap方法的密封寿命小样本数据可靠性评估方法。并以轴用阶梯圈为例,进行寿命可靠性评估。首先通过虚拟增广法将轴用阶梯圈台架寿命试验数据样本数增广至10个,使得样本数满足Bootstrap方法的适用条件;然后再利用Bootstrap方法得到轴用阶梯圈的寿命可靠性评估结果。     

基于灰色关联度的微孔端面机械密封开启力共性影响参数分析

目前微孔端面机械密封采用的几何参数繁多,缺乏明确物理意义。为找出跨孔型的共性几何参数,基于Fluent多相流空化模型,针对矩形孔、菱形孔、椭圆孔端面机械密封,建立密封间隙流体的三维数值计算模型,计算得到144条开启力数据;在分析开启力和几何尺寸之间的关系、额外开启力产生机制的基础上,提出等效长度和等效宽度2个具有物理意义的几何参数;采用灰色关联度分析法,分析和验证等效长度、等效宽度、方向角、面积比对开启力的影响,发现4个因素对3种微孔密封的间隙流体开启力都有影响,但等效长度与等效宽度的影响较方向角、面积比大。     

临近空间载人舱舱门密封特性研究

为研究临近空间载人舱舱门密封特性,对临近空间载人舱舱门P形橡胶密封圈进行有限元压缩行为仿真分析,分析P形橡胶密封圈主副密封面密封接触宽度和接触应力随舱门间隙与舱门行程变化的规律,并根据该规律给出舱门压缩行程和舱门密封间隙的设计推荐值。基于ROTH泄漏模型推导出P形橡胶密封圈的总漏率模型,并计算该泄漏模型的稳态漏率值。通过舱门密封试验,对P形橡胶密封圈的总漏率进行验证。P形橡胶密封圈总漏率计算值与试验结果基本吻合,验证了P形橡胶密封圈总漏率模型的有效性。     

微观表面形貌对螺旋槽液膜密封空化发生的影响

为探索微观表面形貌对液膜密封空化的影响,基于满足质量守恒的JFO空化模型及坐标变换,建立考虑微观表面形貌的双坝区螺旋槽液膜密封数学模型;采用有限体积法离散求解控制方程,综合分析表面粗糙度、周向波度和径向锥度对螺旋槽液膜密封空化发生的影响规律。结果表明:相比而言,密封面计入微观表面形貌后,摩擦副液膜中空穴区发生位置分散且形状不规则;以空化面积比为判据,较大表面粗糙度对液膜空化促生虽起到积极作用,但数据较小,可忽略不计;锥度对液膜中空穴促生和抑制影响有限,波幅的增加显著促进液膜中空穴的发生;高频波数时,正锥度有利于降低液膜空化面积比,抑制空穴。     

增材制造技术在超高膨胀封隔器中的应用

石油和天然气行业不断关注增材制造技术在航空航天和汽车行业的应用发展。研发了利用增材制造技术的超高膨胀封隔器,该封隔器的支承环系统由增材制造。增材制造设计大幅减少了支承系统的构件数量,同时显著提高了膨胀能力和额定压力。密封元件系统与增材制造支承环安装在一起,提供了极端膨胀比、零挤压间隙和对不规则孔的良好适应性。分析和测试结果表明:直径膨胀比高达111%,与常规封隔器相比,提高50%以上; 至少涵盖5种线重的套管(外径相同); 在148.89 ℃的温度下,密封元件能够保持压力68.95 MPa。介绍了增材制造技术、增材制造支承环概念、增材制造材料力学性能、密封元件系统优化和测试情况,以期给我国的完井作业提供借鉴。