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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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为了研究循环流化床(CFB)锅炉燃用无烟煤时床温及选择性非催化还原(SNCR)脱硝对于NO和N2O排放的影响,在1 MW CFB试验装置上开展了试验研究。结果表明:床温由880 ℃提高到970 ℃,NO排放质量浓度由119.5 mg/m3上升到226.0 mg/m3,N2O排放质量浓度由216.0 mg/m3降低到102.2 mg/m3;在氨氮摩尔比(NSR)为0~3.7之间,随着NSR的提高,脱硝效率从0上升到50.72%;进一步提高NSR到5.2,脱硝效率升至53.61%,增加较为缓慢;随着NSR从0提高到1.7,N2O排放质量浓度由84.3 mg/m3上升至118.3 mg/m3,增长较为缓慢;进一步提高NSR至2.0,N2O排放质量浓度上升至187.7 mg/m3,增长速度提高;继续提高NSR至5.2,N2O排放质量浓度上升至381.4 mg/m3;CFB锅炉采用以尿素为还原剂的SNCR脱硝工艺时,单纯通过加大NSR来提高脱硝效率不仅效果有限,过量喷入的还原剂会造成N2O排放量的显著提高。 相似文献
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Chengxiao Zhao Zupeng Chen Run Shi Xiaofei Yang Tierui Zhang 《Advanced materials (Deerfield Beach, Fla.)》2020,32(28):1907296
With the ambition of solving the challenges of the shortage of fossil fuels and their associated environmental pollution, visible-light-driven splitting of water into hydrogen and oxygen using semiconductor photocatalysts has emerged as a promising technology to provide environmentally friendly energy vectors. Among the current library of developed photocatalysts, organic conjugated polymers present unique advantages of sufficient light-absorption efficiency, excellent stability, tunable electronic properties, and economic applicability. As a class of rising photocatalysts, organic conjugated polymers offer high flexibility in tuning the framework of the backbone and porosity to fulfill the requirements for photocatalytic applications. In the past decade, significant progress has been made in visible-light-driven water splitting employing organic conjugated polymers. The recent development of the structural design principles of organic conjugated polymers (including linear, crosslinked, and supramolecular self-assembled polymers) toward efficient photocatalytic hydrogen evolution, oxygen evolution, and overall water splitting is described, thus providing a comprehensive reference for the field. Finally, current challenges and perspectives are also discussed. 相似文献
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Huizhu Cai Bingbing Chen Xiao Zhang Yuchen Deng Dequan Xiao Ding Ma Chuan Shi 《Nano Research》2021,14(1):122-130
Over recent years,catalytic materials of Fe-N-C species have been recognized being active for oxygen reduction reaction(ORR).However,the identification of active site remains challenging as it generally involves a pyrolysis process and mixed components being obtained.Herein Fe3C/C and Fe2N/C samples were synthesized by temperature programmed reduction of Fe precursors in 15%CH4/H2and pure NH3,respectively.By acid leaching of Fe2N/C sample,only single sites of FeN4species were presented,providing an ideal model for identification of catalytic functions of the single sites of FeN4in ORR.A correlation was conducted between the concentration of FeⅡN4in low spin state by Mossbauer spectra and the kinetic current density at 0.8 V in alkaline media,and such a structure-performance correlation assures the catalytic roles of low spin FeⅡN4 species as highly active sites for the ORR. 相似文献
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与传统比例-积分-微分(PID)控制方法相比,滑模控制(SMC)方法可以比较容易地将不确定性纳入控制器设计中,从而增强系统的鲁棒性。探索了SMC技术在运载器主动段姿态控制中的工程应用,首先通过分析基于趋近律的SMC系统,提出了降低不连续切换项系数的需求,然后研究了基于干扰上界的SMC方法。三通道小偏差仿真结果验证了两种方法的控制效果,表明第2种控制器的鲁棒性更好,稳态误差小,同时发动机喷管摆角需求较小。 相似文献