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.     

Reusable Polyacrylonitrile-Sulfur Extractor of Heavy Metal Ions from Wastewater

Mercury, lead, and cadmium are among the most toxic and carcinogenic heavy metal ions (HMIs), posing serious threats to the sustainability of aquatic ecosystems and public health. There is an urgent need to remove these ions from water by a cheap but green process. Traditional methods have insufficient removal efficiency and reusability. Structurally robust, large surface-area adsorbents functionalized with high-selectivity affinity to HMIs are attractive filter materials. Here, an adsorbent prepared by vulcanization of polyacrylonitrile (PAN), a nitrogen-rich polymer, is reported, giving rise to PAN-S nanoparticles with cyclic π-conjugated backbone and electronic conductivity. PAN-S can be coated on ultra-robust melamine (ML) foam by simple dipping and drying. In agreement with hard/soft acid/base theory, N- and S-containing soft Lewis bases have strong binding to Hg²⁺, Pb²⁺, Cu²⁺, and Cd²⁺, with extraordinary capture efficiency and performance stability. Furthermore, the used filters, when collected and electrochemically biased in a recycling bath, can release the HMIs into the bath and electrodeposit on the counter-electrode as metallic Hg⁰, Pb⁰, Cu⁰, and Cd⁰, and the PAN-S@ML filter can then be reused at least 6 times as new. The electronically conductive PAN-S@ML filter can be fabricated cheaply and holds promise for scale-up applications.     

城市污水厂剩余污泥对水中F-的吸附性能研究

利用城市污水处理厂的剩余污泥对水中F-进行吸附处理,通过污泥投加量、F-初始质量浓度、时间、pH等反应条件的研究,探讨除氟效果和影响因素。结果表明,室温下,污泥对F-的吸附在60 min后达到平衡;20 g/L的污泥投加量对10 mg/L含氟水的F-去除率可达83.1%;污泥可在3~10的较大pH范围内保持稳定的除氟效果。准二级动力学模型很好地拟合了污泥对F-的吸附行为,Langmuir和Freundlich模型均符合污泥对F-的吸附特性,热力学参数的计算表明该吸附过程是自发的放热反应。     

复合固体推进剂中固体填料的安息角测试与仿真

复合固体推进剂含有固体颗粒较多，离散单元法是一种适合固体推进剂生产过程数值仿真的有效方法，颗粒物料的接触参数是保证离散单元法仿真精度的关键。本文以复合固体推进剂的主要组分铝粉和高氯酸铵固体颗粒为研究对象，通过实验测试获得了相关物料的安息角，利用专业离散元软件EDEM仿真模拟了安息角测试实验过程，建立了物料安息角与接触参数之间的联系。研究表明，滚动摩擦系数和滑动摩擦系数越大，安息角越大，物料流动性越差。对比仿真与实验结果，通过逆向反推法确定了物料的滑动摩擦系数和滚动摩擦系数两个关键接触参数。铝粉与高氯酸铵1∶2混合颗粒的滑动摩擦系数为0.2，滚动摩擦系数为0.05。为固体推进剂加工生产过程离散元数值仿真提供了关键基础数据。     

钻削GH4169高温合金薄壁件钻削力仿真研究

GH4169高温合金的薄壁钻孔与厚壁钻孔相比有特殊性,运用ABAQUS软件进行钻削GH4169高温合金薄壁件的仿真,研究钻削加工过程中钻削参数和工件厚度对钻削力的影响规律及变化特征,分析应力的分布规律。结果表明:钻削初期,横刃的挤压和主切削刃切削长度的增加使钻削力和扭矩增大;稳定钻削阶段,横刃切出后,主切削刃切削长度不变切削直径增加,钻削力和扭矩稳定增加;钻削后期,副切削刃参与切削,主切削刃切削长度减小,轴向钻削力和扭矩减小,但副刃与孔壁的挤压摩擦,曲线波动较大;钻削速度、进给量及工件厚度的增加都会导致轴向钻削力和扭矩的增加;钻削时的最大应力分布在横刃和主切削刃与工件的接触部位。     

循环流化床脱硫灰用于水泥生产的研究

褐煤作燃料热电厂产生的循环流化床脱硫灰应用于我公司2 500 t/d新型干法窑生产线水泥生产，由于褐煤中全硫含量偏高且波动大，由此致使脱硫过程中脱硫剂比例变化波动也大，将熟料、矿渣、脱硫灰分别用小磨粉磨后进行试验，在试验基础上，除了对该脱硫灰超细粉磨外，同时必须要解决脱硫灰的均化和f-CaO消解问题，通过技术改造使系统设备、工艺更加适合采用脱硫灰复掺技术。     

P91钢管道异常低硬度部位的组织和性能

对电厂运行过程中发现的P91钢主蒸汽管道的低硬度部位进行了微观组织观察、短时力学性能试验和高温持久强度试验,分析了其硬度偏低的原因。结果表明,低硬度区域P91钢组织为铁素体+析出物,位错密度较低,M₂₃C₆相在晶界处粗化聚集,同时析出新相Laves相,使得P91钢的短时力学性能和高温持久强度下降严重。