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The main contents include ? the foundation of MD simulation cell in Grand Canonical Ensemble;? the establishment of elastic collision mechanism between hydrogen molecules and carbon nanotube walls and arithmetic design;? molecular dynamics simulation details of hydrogen physisorption in single walled carbon nanotube arrays and program design;? the acquirement and analysis of computer simulation results, where the influences of tube diameter, distance between tubes, temperature and pressure on hydrogen physisorption in SWCNTA are investigated in detail.

主要内容为：①巨正则系综分子动力学模拟元胞的创建；②氢分子与碳纳米管壁弹性碰撞机制的建立及算法设计；③碳纳米管阵列物理吸附储氢的分子动力学模拟细节及程序设计；④计算机模拟研究结果的获取与分析，重点研究了管径、管间距、温度和压强对单壁碳纳米管阵列物理吸附储氢的影响。

The inventive has excellent activity of diolefin hydrogenation and selectivity, sulfur resistance and arsenic resistence, extremely excellent pyrolysis gasoline selective hydrogenation performance, can meet the process requirements of pyrolysis gasoline selective hydrogenation.

本发明的催化剂具有优异的双烯加氢活性和选择性，以及抗硫和抗砷能力，具有十分优异的裂解汽油选择性加氢性能，能够适应裂解汽油选择性加氢的工艺要求。

The establishment of elastic collision mechanism between hydrogen molecules and carbon nanotube walls and arithmetic design;? molecular dynamics simulation details of hydrogen physisorption in single walled carbon nanotube arrays and program design;? the acquirement and analysis of computer simulation results, where the influences of tube diameter, distance between tubes, temperature and pressure on hydrogen physisorption in SWCNTA are investigated in detail.

主要内容为：①巨正则系综分子动力学模拟元胞的创建；②氢分子与碳纳米管壁弹性碰撞机制的建立及算法设计；③碳纳米管阵列物理吸附储氢的分子动力学模拟细节及程序设计；④计算机模拟研究结果的获取与分析，重点研究了管径、管间距、温度和压强对单壁碳纳米管阵列物理吸附储氢的影响。

The results indicated that the magnitude of the activity of catalase in red flour beetle has positive correlation with the resistance level to phosphine, and the resistance to phosphine of the insect may be associated with the activity increase of catalase.

结果表明赤拟谷盗虫体内过氧氢酶的活性大小与其对磷化氢的抗性水平高低呈正相关，害虫对磷化氢的抗性可能与过氧化氢酶的活性增加有关。

One case is partial carbon conversion, and the remaining serves as a fuel for the regenerator, and the other is chemical reactionin the regenerator to supply heat for absorbent regeneration.

为了确定CO2吸收剂的不同再生方式对整个制氢过程的影响，根据含碳能源直接制氢的基本思路，构建了2种不同的制氢系统：碳部分转化再生供热和化学链反应供热。

hydrogenase and hydrogenase are the main types of hydrogenase s and have different s.

氢酶是产氢过程中的关键酶，催化氢的氧化或质子的还原。

The hydrogen is produced by the reaction of Al and autoecious mechanism during anode effect dealing process, which has important effect on the formation of Al electrolyte. Hydrogen produced in the course of Al electrolysis pollutes aluminum liquid by diffusion and autoecious mechanism is the main rootstock affecting the metallurgical quality of liquid-Al in short-flow process.

水分与铝反应所产生的氢通过Al2O3夹杂物气体寄生机制进入铝液，对电解铝液中氢的形成有重要影响；铝电解过程生成的氢通过扩散和寄生机制对铝液的污染，是短流程工艺影响铝熔体冶金质量的主要根源。

The results show that the originated materials for electrolyte aluminium is Al2O3 and AlF3 has good property to absorb vapour. After the water contained in the originated materials goes into electrolyte, AlF3 reacts with water hydrolyzed and the rest of water is electrolyzed into hydrogen and oxygen. Hydrogen enteres aluminum liquid by diffusing and autoecious in Al2O3, which is the main source of hydrogen in electrolyte aluminum liquid.

研究结果表明：电解铝所用的原材料(Al2O3和AlF3等)有良好的吸水性能，所携带的水分进入电解液后，或与氟化盐发生水解反应，或被电解成氢和氧，析出的氢通过扩散和Al2O3寄生机制进入铝液，这是电解铝液中氢的主要来源。

There are two parts in this thesis. Part I focuses on the transient effect in InGaP/GaAs hetero-junction bipolar transistors. Part II focuses on the P memory effect and buffer-layer-quality determination using C-V measurement in AlGaAs/GaAs pseudomorphic high-electron-mobility transistors. The characterization of hydrogen passivation for InGaP HBTs grown on semi-insulating GaAs substrates is studied. The transient effect caused by hydrogen passivation results the current gain ?

本论文分两部分，第一部份讨论在磷化铟镓的异质接面双载子电晶体中，由於氢的包覆效应产生的特性之研究，由於氢在此种元件中所造成的载子包覆现象是引起电流增益增加的暂态现象的主要原因，本论文提出一个计算氢包覆比例的模型，并与SIMS量测的结果相比对，经过几次热回火处理，此种暂态效应可以被消除。

The shape of the water molecule, with an HOH angle of 105. Results in the side with the hydrogen being positively charged whereas the other side is negatively charged.

水分子是由具有105°角的氢-氧-氢组成，其形状导致有氢的一边显正电荷，而另一边显负电荷。

The concept of equivalent rotationally rigidity is offered and the formula of rotationally rigidity is obtained.

主要做了如下几个方面的工作：对伸臂位于顶部的单层框架—筒体模型进行分析，提出了等效转动约束的概念和转动约束刚度的表达式。

Male cats normally do not need aftercare with the exception of the night after the anesthetic.

男猫通常不需要善后除了晚上的麻醉。