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21.
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. 相似文献
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铁素体钢在低温条件下存在明显的韧脆转变现象。为防止脆断事故的发生,需要确定铁素体钢制压力容器的最低使用温度。针对ASME中的A^D四条冲击豁免曲线,对应地选取了4种材料,基于材料实际的屈服强度和参考温度,按照ASME中豁免曲线的计算方法,计算得到4种材料的最低设计金属温度曲线,并与对应的A^D曲线对比,定量地分析ASME中豁免曲线的保守性。结果表明,ASME中的豁免曲线相对于材料自身的最低设计金属温度曲线保守性较大;韧性相近的材料被划分到不同的豁免曲线,使得韧性富裕量差异较大,对于某些材料,其断裂韧性被低估。 相似文献
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A. Amala Jeya Ranchani V. Parthasarathy Chechia Hu Yi-Feng Lin 《Chemical Engineering Communications》2020,207(6):871-886
AbstractAn eco-friendly catalyst system was synthesized using three step reaction. The Cu nanoparticles bridged aminoclay catalyst was analyzed using various analytical techniques. The structure of the catalyst was confirmed by FTIR and XRD. The synthesized catalyst system was used for the reduction of p-nitrophenol (NP), Cr(VI), and fluorescein (Flur) dye individually, as well as in their mixture forms. The kapp value was computed to access the efficiency of the catalyst. The results indicated that the kapp value of the individual system is higher than that of the mixture systems due to the absence of the complex formation reaction. The catalytic performance of the catalyst was also tested for the Schiff base (SB) formation between poly(ethyleneglycol) (PEG) and aniline (ANI) in an oxygen atmosphere. The 1H-NMR spectroscopy result indicates that the present catalyst system produced 86% yield. 相似文献
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Guojun Hu 《Polymer-Plastics Technology and Engineering》2020,59(13):1407-1416
ABSTRACT Polymeric foams have received increasing attention in both academic and industrial communities. Using of nanoparticles as heterogeneous nucleation agent has been verified as one of the most valid means to enhance cell nucleation and improve cell morphology. However, few researches have been conducted to investigate the effect of the nanoparticles’ spatial orientation on their nucleation efficiency. In this work, to study the influence of the orientation of nanoparticles on their performance in improving morphology of polymeric foam, thermoplastic polyurethane (TPU) composite fibers with different nanoparticles (carbon nanotubes, graphene and SiO2) were prepared by using different traction speeds. The different traction speeds lead to different orientation state of the nanoparticles which then resulted different nucleation effect. It was found that carbon nanotubes (CNTs) were easily oriented and aligned along the fiber length direction under the high traction speed, while graphene and SiO2 nanoparticles did not show orientation under the traction speed in this study. As a result, the foam of TPU/CNTs composite fibers from high traction speed exhibited a much smaller cell size and higher cell density compared to the foams of the fibers from low traction speeds, while TPU/graphene, and TPU/SiO2 composite fibers with different traction speeds showed almost similar cell size and size density after foaming, indicating that the orientated nanoparticles possessed higher heterogeneous nucleation efficiency. To our best knowledge, this work, for the first time, demonstrated the high nucleation effect of the aligned nanoparticles, which hopefully open a new path for improving the cell morphology of polymeric foam materials. 相似文献
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Rong Zhang Hailong Hu Hai Chen Siqi Li Cheng Ying Shuai Huang Qingting Liu Xudong Fu Shengfei Hu Ching-Ping Wong 《应用聚合物科学杂志》2020,137(39):49186
Recently, thermal interface materials (TIMs) are in great demands for modern electronics. For mechanically mixed polymer composite TIMs, the thermal conductivity and the mechanical properties are generally lower than expected values due to the sharply increased viscosity and poor filler dispersion. This work shows that addition of a small amount of polyester-based hyperbranched polymer (HBP) avoided the trade-off in mechanically mixed ABS/hexagonal boron nitride (h-BN) composites. After adding 0.5 wt% HBP, the maximum h-BN content in the composites increased from 50 to 60 wt%. The out-of-plane, in-plane thermal conductivity, and tensile strength of ABS/h-BN with 50 wt% h-BN were 0.408, 0.517 W/mK, and 18 MPa, respectively, and were increased to 0.729, 0.847 W/mK, and 32 MPa by adding 0.5 wt% HBP, while 0.972, 1.12 W/mK, and 29.5 MPa were achieved for ABS/h-BN/HBP with 60 wt% h-BN. The morphological and rheological results proved that these enhancements are due to the improved h-BN dispersion by decreasing viscosity of composites during mixing. Theoretical modeling based on the modified effective medium theory confirmed such results and showed that the interfacial thermal resistance also decreased slightly. Thus, this work demonstrates a facile and scalable method for simultaneously improving the thermal conductivity and mechanical properties of thermoplastic-based TIMs. 相似文献
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