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。     

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。     

考虑结构动态变形的缸套-活塞环润滑建模分析

缸套在燃烧冲击和活塞敲击激励下会产生接近表面粗糙度的动态变形,极有可能影响缸套-活塞环组件间的摩擦润滑过程。为了研究缸套动态变形潜在的影响,将动力学仿真获取的缸套内表面的动态变形经过处理后导入到润滑模型中,同时采用数值积分计算的方式对油液压力应力因子和剪切应力因子进行实时计算求解,使仿真计算更加符合实际情况。通过搭建同时考虑缸套变形与油液剪切特性影响的改进润滑模型,计算得到整个工作循环内活塞环上的最小油膜厚度和摩擦力曲线。结果表明:考虑缸套动态变形后的最小油膜厚度和摩擦力曲线出现了明显的波动,而且考虑缸套动态变形后的摩擦力比未考虑之前出现了明显下降。     

Physical and thermal properties of l‐lactide/ϵ‐caprolactone copolymers: the role of microstructural design

Understanding the underlying role of microstructural design in polymers allows for the manipulation and control of properties for a wide range of specific applications. As such, this work focuses on the study of microstructure–property relationships in l‐ lactide/?‐caprolactone (LL/CL) copolymers. One‐step and two‐step bulk ring‐opening polymerization (ROP) procedures were employed to synthesize LL/CL copolymers of various compositions and chain microstructures. In the one‐step procedure, LL and CL were simultaneously copolymerized to yield P(LL‐stat‐CL) statistical copolymers. In the two‐step procedure, poly(l‐ lactide) (PLL) and poly(?‐caprolactone) (PCL) prepolymers were synthesized in the first step before CL and LL respectively were added in the second step to yield P[LL‐b‐(CL‐stat‐LL)‐b‐LL] and P[CL‐b‐(LL‐stat‐CL)‐b‐CL] block copolymers as the final products. The findings reveal that, in addition to the copolymerization procedure employed, the length and type of the prepolymer play important roles in determining the chain microstructure and thereby the overall properties of the final copolymer. Moreover, control over the degree of crystallinity and the type of crystalline domains, which is controlled during the polymer chemistry process, heavily influences the physical and mechanical properties of the final polymer. In summary, this work describes an interesting approach to the microstructural design of biodegradable copolymers of LL and CL for potential use in biomedical applications. © 2019 Society of Chemical Industry     

A theoretically-based novel protocol for the analytic treatment of the glass failure stresses associated with coaxial double ring test method

With the aim of validating a new standardized Coaxial Double Ring testing procedure, without overpressure and with fixed geometry, an ad hoc theoretical approach has been proposed here to rearrange the laboratory outcomes accounting for the effects of the geometric non-linearities associated with such a testing configuration. By borrowing this idea, once the experimental values of the failure load have been determined, it has been possible to obtain an expression in closed form (fully defined by only two coefficients) of the maximum tensile stress (σ_max) in the core of the specimen. Following this, in order to make the laboratory outcomes comparable and homogeneous, the σ_max-values have been then re-scaled to a common reference condition (equibiaxial stress on a reference area, σ_eqbx), by means of the use of a correction coefficient (K) able to determine, under a condition of equal probability of failure, the effective area (A_eff) of the tested specimens. After being corrected to account for the effects of the stress corrosion cracking (static fatigue effect), all re-scaled data have been finally interpreted using a Weibull-type statistical distribution to determine the main fractile values of the glass strength. Doing so, despite some unavoidable approximations, this procedure furnished a highly effective means of determining the bending strength of float glass. Unlike the pure numerical approach proposed in codes and literature, which requires to correct the experimental data via FEM simulation, the rationale behind the proposed approach is in fact to elaborate the experimental data through an analytic treatment of the problem, which would greatly facilitate the interpretation of the data as well as the standardization of the testing procedure.