查询词典 grand-scale

Grand canonical ensemble Monte Carlo simulation ; active carbon ; adsorption

巨正则系综Monte Carlo模拟；活性炭；吸附

Adsorption behavior and microscopic structure of propane adsorbed in slit micropores are studied by using the grand canonical ensemble Monte Carlomethod.

用巨正则系综MonteCarlo方法模拟了活性碳孔吸附丙烷时的微观结构。

The relationship among three ensemble s (microcanonical ensemble ,canonical ensemble ,and grand canonical ensemble ) was discussed by means of derivation of distribution function,calculation of partition function,clarification of the basic thermodynamics as well as the fluctuations of particles in order to get profound cognition of these three ensemble s.

从三则系综(微正则系综、正则系综和巨正则系综)分布函数的推导，配分函数的计算，基本热力学量的表达及能量、粒子数的涨落等方面来讨论三则系综之间的关系，以便更深刻地认识三则系综之间的关系、灵活运用三则系综来解决实际问题。

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

单壁碳纳米管阵列；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，对单壁碳纳米管储氢的物理吸附过程进行了模拟计算。

By using grand canonical ensemble Monte Carlo method, machanism for the adsorption of methane in single wall carbon nanotubes at 74.05 K has been investigated. It is found that the adsorption of methane in smaller SWNTs, whose diameters are 1.22nm and 1.632nm, exhibits "pore filling" behavior. In contrast, for the SWNTs of diameter larger than 2.04nm, capillary condesation takes place.

采用巨正则系统MonteCarlo方法研究了甲烷在单壁碳纳米管(Singlewallcarbonnanotube，SWNT)中于低温74.05K下的吸附等温线及吸附机理，发现在两个较小的孔径(1.225nm和1.632nm)下单壁碳纳米管中甲烷的吸附有着明显的微孔所独有的"填充效应"，而在2.04nm以上的孔的吸附中会出现毛细凝聚现象。

Semi-classical Approximation; PVTN Properties via Configuration Integral from Intermolecular Effects; Grand Canonical Ensemble II - Examples

半经典近似；对分子间作用，作定积分而得的PVTN性质；巨正则效果II

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。

Researching the state of the administrative cost has a very grand significance for enhancing the cost sense of all levels of the party and administrative leaders and all the civil servants, fulfilling their own responsibility canonically, reducing any unnecessary expenses, completing the reform of the administrative system successfully, improving the reign abilities and levels of the government, changing the government function, improv...

全面系统的研究我国政府的行政成本状况，对强化各级党政领导和全体公务员的成本意识、规范的履行职责、减少各种不必要的开支，对顺利完成行政管理体制改革目标、提高政府执政能力和水平、转变政府职能、提升政府绩效、建设节约社会与和谐社会将具有重大意义。

The characteristics of Handel s cantata are expounded,such as,libretto and subject matter, the grand style,chorus and duet,and the tendency of homophony ,in order to make people realize his important status and influence in art history of music.

介绍了亨德尔清唱剧创作的背景，阐述了亨德尔清唱剧的唱调和题材、宏伟的风格、合唱与重唱及主调音乐倾向，使人们了解其在音乐艺术史上的重要地位和影响。

But we don't care about Battlegrounds.

但我们并不在乎沙场中的显露。

Ah! don't mention it, the butcher's shop is a horror.

啊！不用提了。提到肉，真是糟透了。