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Single-walled carbon nanotube array ; hydrogen storage ; physisorption ; grand canonical ensemble ; molecular dynamics simulation

碳纳米管阵列;物理吸附;储氢;巨正则系综;分子动力学模拟

Thirdly, by adopting Lennard-Jones potential model and MD method, we build a MD simulation cell, which contains the information of a Grand Canonical Ensemble, and the elastic collision mechanism, and then simulate the process of hydrogen physisorption in single walled carbon nanotube.

然后,建立一个包含巨正则系综信息的分子动力学模拟元胞和弹性碰撞机制,采用Lennard-Jones势能模型和MD方法,对单碳纳米管储氢的物理吸附过程进行了模拟计算。

Capillarity The rise or fall of liquids in narrow tubes as a result of the surface tension of the liquid, which causes the water to adhere to solid surfaces, such as soil particles or the walls of xylem vessels.

毛细现象:由液体表面张力引起的液体在细管中上升或下降的现象,毛细现象引起水和固体表面的粘合作用,例如土壤颗粒或木质部导管

When the proper temperature is reached, the alloy will flow readily into the space between the tube outer wall and the fitting socket, drawn in by the natural force of capillary attraction.

当温度加热到一定程度,合金将流到管道外和管件插口内之间的空隙中,这种吸入作用是通过毛细吸引的自然力实现的。

I have referenced this with a graduate wall thickness of the carafe – with at robust thickness at the bottom and less thickness at the top.

我引用这与研究生管厚度的玻璃水瓶-在稳健与厚度的底部,减少厚度在上方。

Based on this model, the structures, dipole moments and the nuclear magnetic resonance parameters were calculated for a series of functionalized nanotubes, including nitrene and carbene modification, as well as 1,2- and 1,4-fluorination.

本文采用C80H20模型来表示(10,0)碳纳米管,基于此模型计算了一系列氮烯、卡宾和氟化的单纳米管的结构、偶极矩,以及核磁共振参数。

The results indicated that the high level density functional theory calculations can be used to predict the 13C chemical shifts of the modified nanotubes. The calculated results also provided the characteristic chemical shifts values of nitrene (superscript -), carbene (superscript -) and 1,2- and 1, 4-fluorinated nanotubes, which would be helpful for experimental spectrogram assignments. Combined with NMR experiments, these predicted characteristic chemical shifts can be further used to monitor the addition mechanism and the extent of surface modifications on nanotubes.

研究表明高精度的密度泛函理论计算能够用来预测纳米管的13C化学位移,理论研究的结果揭示了氮烯、卡宾以及1,2和1,4氟化的单纳米管的若干13C信号特征化学位移值,为实验NMR谱图的归属提供了一定的依据,并且可通过与实验相结合来监测表面官能化碳纳米管加成反应是否发生以及确认其加成方式。

There are carboxylic acid groups and carboxylate groups on the surface of mixed acid-treated carbon nanotube.

报道了一种多纳米碳管修饰电极的制备方法并表征了它的电化学特性。

There was no statistical difference between inactive rheumatic carditis groups and normal controls groups.

风心活动组、风心静止组、健康对照组的淋巴细胞贴抑制指数同PCA相关系数分别为0.859 4、0.843 1、0.828 7,存在着正相关性,在统计学上无差异。

A specific antigen from group A streptococcal cell membrane and 1% PHA used as a stimulant to test the peripheral blood lymphocyte adherence inhibition percent and procoagulant activity in 30 cases of active rheumatic carditis, 24 cases of inactive rheumatic carditis and 38 cases of normal controls.

用A组乙型溶血链球菌特异性菌膜抗原和1%植物血凝素作为刺激物,分别测定38例健康对照组,30例风湿性心脏病风湿活动组,24例风湿性心脏病静止组的外周血淋巴细胞贴抑制百分率(Lymphocyte adherence inhibition percent, LAIP)和促凝血活性(Procoagulant activity, PCA)。

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My dream is to be a crazy growing tree and extend at the edge between the city and the forest.

此刻,也许正是在通往天国的路上,我体验着这白色的晕旋。

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