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在G2 (CC ,MP2 )理论水平上研究了C2 (a3 Πu)自由基与NO分子的反应 .计算了反应体系最低二重态势能面上各驻点的构型参数、振动频率和能量 ,揭示了此反应存在两种反应机理 :由NO中的O原子进攻C2 自由基形成CCON中间体的CCON机理和NO中的N进攻C2 自由基形成CCNO中间体的CCNO机理 ,分析了对应与这两种反应机理的五个可能的反应通道 ,得出了由NO中的N原子进攻3 C2 自由基 ,生成中间体CCNO自由基 ,最终得到产物CN +CO的通道是最有利的通道 . 相似文献
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在对大量的套管全尺寸挤毁试验结果分析的基础上,提出套管外压失稳机理:实际工程中的套管截面不是理想圆,在外压作用下的非圆套管圆周方向上环向应力分布不均匀,有附加弯矩效应;随外压增加,在最大压缩环向应力处达到屈服;当屈服逸到一定程度时,材料由于强度承载力不足而失效,导致套管发生失稳挤毁。基于上述套管强度挤毁准则,分析了理想弹塑性套管在轴向载荷作用下的抗挤强度计算方法,得到较保守的套管挤毁压力计算公式。与试验结果对比表明:导出的计算公式偏差较小,计算精度满足工程要求,失稳强度准则是适用的。 相似文献
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Fangzhou Li Dr. Errui Li Dr. Krishanu Samanta Zhaoxi Zheng Dr. Lianqian Wu Albert D. Chen Prof. Dr. Omar K. Farha Dr. Richard J. Staples Prof. Dr. Jia Niu Prof. Dr. Klaus Schmidt-Rohr Prof. Dr. Chenfeng Ke 《Angewandte Chemie (International ed. in English)》2023,62(50):e202311601
Boron trifluoride (BF3) is a highly corrosive gas widely used in industry. Confining BF3 in porous materials ensures safe and convenient handling and prevents its degradation. Hence, it is highly desired to develop porous materials with high adsorption capacity, high stability, and resistance to BF3 corrosion. Herein, we designed and synthesized a Lewis basic single-crystalline hydrogen-bond crosslinked organic framework (HCOF-50) for BF3 storage and its application in catalysis. Specifically, we introduced self-complementary ortho-alkoxy-benzamide hydrogen-bonding moieties to direct the formation of highly organized hydrogen-bonded networks, which were subsequently photo-crosslinked to generate HCOFs. The HCOF-50 features Lewis basic thioether linkages and electron-rich pore surfaces for BF3 uptake. As a result, HCOF-50 shows a record-high 14.2 mmol/g BF3 uptake capacity. The BF3 uptake in HCOF-50 is reversible, leading to the slow release of BF3. We leveraged this property to reduce the undesirable chain transfer and termination in the cationic polymerization of vinyl ethers. Polymers with higher molecular weights and lower polydispersity were generated compared to those synthesized using BF3 ⋅ Et2O. The elucidation of the structure–property relationship, as provided by the single-crystal X-ray structures, combined with the high BF3 uptake capacity and controlled sorption, highlights the molecular understanding of framework-guest interactions in addressing contemporary challenges. 相似文献
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色散平坦渐减光纤中色散特性对超连续谱的影响 总被引:2,自引:2,他引:0
从频域全场方程出发研究了色散平坦渐减光纤中超连续谱(SC)的产生。结果表明,色散平坦渐减光纤的初始色散和色散斜率对超连续谱的产生有重要影响,当超连续谱宽度小于某一特定阈值时,谱宽随初始色散或色散斜率显著变化;而当超连续谱谱宽大于此值以后,谱宽随这两个参量的变化较缓慢。并且发现色散递减曲线为凸型的光纤比色散线性递减的光纤更有利于产生宽的超连续谱;而色散递减曲线为凹型的光纤不利于形成宽的超连续谱。计算表明经过优化选择光纤的色散参量,可以得到谱宽达330nm的超连续谱。 相似文献
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In order to study the effect ofalkyl chain length and the polymer effect on the photoreduction behavior of some viologens, a series of alkyl viologen, polyviologen and bisviologen compounds have been synthesized. In the presence of excess 2-propanol, the initial photoreduction of alkyl viologens and polyviologens follow the peudo--seeond--order reaction, the calculated rate constants are related to the alkyl chain length: In addition, the intramoleeular association of radical cations of polyviologens has been found even in dilute solution. However the extent of association is varied with the aikyl chain length. The observed polymer effect of polyviologens in the photoreduetion is significant which can be explained in terms of the nature of second order reaction. 相似文献
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A novel bits loading algorithm is proposed for adaptively modulated optical OFDM (AMOOFDM) multimode fiber communication system to decrease the system bit error rate (BER) caused by some OFDM subcarriers located at the deep nulls in the high frequency region of multimode fiber. The simulation results show that the performance of the new algorithm is approximate to the optimal algorithm-Greedy algorithm, but its computational complexity is considerably lower, thus the new algorithm is easy to implement. Comparing to fixed bits loading, adaptive bits loading can reduce the system BER effectively. 相似文献