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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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Thermoresponsive behavior and rheology of SiO2–hyaluronic acid/poly(N‐isopropylacrylamide) (NaHA/PNIPAm) core–shell structured microparticles 下载免费PDF全文
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Xiaohui Hu Li Cheng Yan Hong Zhaofeng Li Caiming Li Zhengbiao Gu 《International Journal of Food Science & Technology》2021,56(8):4149-4158
Incorporating high level of potato flour into wheat flour enhances nutritional values of bread but induces a series of problems that lead to the decline of the bread quality. To overcome the barrier, wheat gluten and carboxymethylcellulose (CMC) were added into potato–wheat composite flour to improve dough machinability and bread quality. The rheological properties, thermo-mechanical properties and microstructures of dough were investigated. The results showed that the interaction between gluten and CMC mitigated the discontinuity of gluten matrix and gluten protein aggregation caused by the addition of potato flour, which yielded a more branched and compact gluten network. The compact three-dimensional viscoelastic structure induced improvements of gas retention capacity and dough stability, making it mimic the machinability properties of wheat flour dough. Bread qualities were apparently improved with the combined use of 4% gluten and 6% CMC, of which specific volume increased by 42.86%, and simultaneously, hardness reduced by 75.93%. 相似文献