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In this paper,adsorption behavior of active carbon pores has been simulated by using the grand canonical ensemble Monte Carlo method.

利用巨正则系综Monte Carlo方法模拟活性炭孔的吸附行为。

Instead of the approach of grand canonical ensemble which is generally used in a zero range process, we introduce an alternate approach of the mean-field equations to study the dynamics of particle transport.

最近的实验数据表明,在许多真实的复杂网络中,结点度和边权之间有着很高的关联。

By using of both the approach of grand canonical ensemble and the approach of mean field equation to describe the evolution of particles on a node, we find that the stationary state of particle is determined by the strength distribution, in contrary to the case of asymmetric weights on the edge where the stationary state is determined by the degree distribution.

通过观察结点上的平均占有粒子数随时间的演化,数值模拟表明了系统在动力学的初始阶段出现了级次动力学过程,这个过程也同样是由强度的分布决定。

In chapter 4,We re-compute the corrections to black hole entropy dueto the scalar field and Dirac field by using the grand canonical ensemble.

第四,利用巨正则系综重新计算了静态球对称黑洞的熵。

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。

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