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151.
The bimolecular single collision reaction potential energy surface of an isocyanate NCO radical with a ketene CH2CO molecule was investigated by means of B3LYP and QCISD(T) methods. The computed results indicate that two possible reaction channels exist on the surface. One is an addition-elimination reaction process, in which the CH2CO molecule is attacked by the nitrogen atom at its methylene carbon atom to lead to the formation of the intermediate OCNCH2CO followed by a C-C rupture channel to the products CH2NCO+CO. The other is a direct hydrogen abstraction channel from CHzCO by the NCO radical to afford the products HCCO+HNCO. Because of a higher barrier in the hydrogen abstraction reaction than in the addition-elimination reaction, the direct hydrogen abstraction pathway can only be considered as a secondary reaction channel in the reaction kinetics of NCO+ CH2CO. The predicted results are in good agreement with previous experimental and theoretical investigations. 相似文献
152.
一种新型共生沸石(T-L)的合成与表征 总被引:2,自引:0,他引:2
在Na2O-K2O-Al2O3-SiO2-H2O体系中水热合成了一种新型的共生沸石, 它由L型沸石生长在T型沸石的一端而形成, 称之为T-L型沸石. 通过XRD, SEM, TEM, EDX, IR等手段对其进行了初步的表征. SEM相片表明这种沸石具有特殊的铆钉状外形; 在TEM相片上可以清楚地看到L型沸石的大孔道, 此孔道与L型沸石的表面垂直. 通过EDX的数据计算发现共生沸石的两相有不同的骨架硅铝比: T型沸石部分Si/Al=3.71, L型沸石部分Si/Al=3.41. 在该样品中B酸大于L酸. 相似文献
153.
郭黎平 《高等学校化学学报》1993,14(1):29-32
本文将自制Y式玻碳电极拉上两性接枝星形聚合物(GPSMA)的LB膜,用循环伏安法研究谈膜的屏蔽效应,讨论了接枝量、成膜条件等对膜缺陷的影响,并提出了减少缺陷的办法。 相似文献
154.
In this paper, calculating the molecular internal rotating steric factor of polymers by the radiation crosslinking method is studied and a relationship between the molecular internal rotating steric factor (σ) and crosslinking parameter βis established~([1]) by taking account of the effect of polymer chain flexibility on βvalue, σvalue of polymer obtained by this method is in agreement with that given with other method. 相似文献
155.
156.
ShaoNongCHEN ShaoYuanCHEN HanDongSUN WenZhongLIN YaoZuCHEN 《中国化学快报》2004,15(5):539-542
Two novel ent-kauranoids with new sub-skeleton types, gesneroidins G and H were isolated as white powder from the ether extract of the leaves of Isodon gesneroides through normal phase column chromatography. Their structures were elucidated as 3β,6α,7β-triacetoxyl-15-hydroxyl-14-oxo-ent- 15,16-seco-kaur-11,17-olide and Iα-hydroxyl-3β,6α,7β,11 β-tetraacetoxyl-ent-nor-15,17-kaur-8,16-olide on the basis of the spectral evidences including ID and 2D NMR spectra. 相似文献
157.
The novel applications of molybdenum disulfide in recent research were reviewed, such as in lubricant, catalyst and photoelectrochemical solar cells. Recently, we found that LiMoS2 is a good candidate for new anode materials for lithium ion batteries with high lithium storage capacity.Here, the anode material LiMoS2 was synthesized by a hydrothermal method at 150℃ and the electrochemical characterization as an anode material for lithium ion batteries was examined.put in Teflon-lined stainless steel autoclaves of capacity 40 mL. Distilled water was used to fill the autoclaves to 70 % of the total volume. The autoclaves were maintained at 150℃ for 24 h and then cooled naturally. The resulting dark-gray powders were filled and washed with distilled water,diluted hydrochloric acid and ethanol, successively. The final products were dried at 80℃ for 24 h.The powder X-ray diffraction pattern showed the prepared LiMoS2 was amorphous structure. A test cell using LiMoS2 as the active material was discharged and charged between 3 and 0.01 V with respect to Li metal at a constant current density of C/5 (that is, one lithium per formula unit in 5 hours). During the first discharge, the potential rapidly drops to reach a large plateau at 2.2 V, then slowly drops to the other plateau at 0.8 V, and then continuously decreases down to 0.01V. There is only a plateau at 1.35 V in the subsequent discharge curves. The plateaus of charge potential appear at about 1.9 V.The irreversible loss was 41% in the first cycle. The ratio of discharge and charge is more than 99%in the subsequent cycles. Moreover, the ratio of discharge and charge almost reaches 100% after thedemonstrated that LiMoS2 has a very high capacity and a good cycle-ability as an anode material forlithium ion batteries. 相似文献
158.
采用无网格光滑粒子流体动力学(smooth particle hydrodynamics,SPH)方法,结合粒子体积自适应技术(volume adaptive scheme, VAS)构建高精度、高效率的新型轴对称SPH模型,实现水下爆炸冲击波和气泡运动模拟。在冲击波传播阶段,通过与经验公式及文献理论值对比,验证了该轴对称SPH模型的精度。针对气泡脉动模拟,选取典型的双气泡耦合问题,分析气泡形态和压力载荷的力学特性,讨论了两气泡之间的距离参数对气泡相互作用过程的影响。结果表明,该新型轴对称SPH模型可实现水下爆炸过程压力载荷和气泡形态演化的精确预报。 相似文献
159.
对预应力混凝土箱梁进行爆炸损伤评估研究。首先,对矩形梁进行爆炸数值分析,结合现场试验结果验证了爆炸数值模型的准确性、可靠性。其次,基于箱梁剩余承载力,建立了箱梁爆后损伤评估准则。通过对预应力混凝土箱梁在不同爆炸工况下的爆后剩余承载力计算,建立箱梁各损伤程度下P?I(超压?冲量)曲线。研究发现,混凝土强度对箱梁超压和冲量临界值影响较大,钢筋屈服强度对超压和冲量临界值影响较小。随着结构损伤等级的增大,各参数对箱梁P?I曲线的影响幅度各不相同。最后,对不同混凝土强度箱梁中各损伤等级P?I曲线进行公式拟合,并对拟合参数β进行分析。 相似文献
160.
回顾了古代“丝绸之路”推动蒙医药的发展历程,分析了现代“一带一路”倡议发展思想下,蒙医药的发展机遇。介绍了蒙医药理论体系中经典的三要素理论,列举了蒙医治疗不同呼吸疾病(慢性阻塞性肺疾病、支气管哮喘、肺癌、肺部感染性疾病、新冠肺炎、肺纤维化等)的主要药物与疗法。从临床应用、有效成分挖掘与作用机制研究等方面,综述了近年来蒙医药在呼吸疾病领域中的应用情况和研究进展。 相似文献