It has been found that the densities of liquid and vapor phases are in agreement with the results from the Gibbs ensemble Monte Carlo simulation. 研究结果表明:文中得到的LJ纯流体汽液相平衡密度与采用Gibbs系综MonteCarlo模拟计算结果基本一致;
Phase Equilibria of Fluids by Gibbs Ensemble Monte Carlo Method Gibbs系综MonteCarlo方法研究流体相平衡
Gibbs Ensemble Simulates Vapor-Liquid Equilibria of Fluids 吉布斯系综模拟流体汽液相平衡
Both of Gibbs Ensemble Monte Carlo simulation methodology and Configurational-bias Monte Carlo simulation methodology are the methods of trying to search rational configurations of systems in nature. 吉布斯系综蒙特卡罗模拟方法及构型偏倚蒙特卡罗模拟方法实质上都是构象搜索模拟方法。
In this work, the Gibbs ensemble Monte Carlo simulation method was applied to calculate the coexistence properties of pure Square-Well fluid. 本文应用Gibbs系综MonteCarlo方法,对纯方阱流体的汽液共存性质进行了模拟计算。
Gibbs Ensemble Simulates for Vapor Liquid Equilibria of Binary Mixture Fluids 二元混合物流体相平衡吉布斯系综模拟
With the development of Gibbs ensemble method, Montle Carlo method has shown its special abilities in the study of thermodynamic equilibrium and phase transition. 蒙特卡罗法是流体计算机模拟的主要方法和手段之一,吉布斯系综法的提出,又显示出用蒙特卡罗法在研究物质相平衡和相变特性方面特有的能力。
The Gibbs ensemble Monte Carlo simulation method is applied to calculate the vapor liquid equilibria of two ternary systems of N 2 CO 2 CH 4 and CH 4 C 2H 6 CO 2 which are frequently encountered in natural gas industry. 采用MonteCarlo分子模拟及Gibbs系综方法计算了用于天然气工业的两个三元体系(N2-CO-CH4、220K、6MPa和CH4-C2H6-CO2、233K、4MPa)的汽液平衡。
Applying the stepwise sampling method proposed by the authors to the NPT canonical ensemble, an efficient approach for the estimation of the excess Gibbs free energy of fluid mixtures is presented. 应用作者提出的逐级取样方法于NPT正则系综,提出了有效求取流体混合物超额Gibbs自由能的模拟方法。
Determination of Phase Coexistence Properties of Binary System: Nitrogen-Water and Oxygen-Water by the Gibbs Ensemble Monte Carlo Simulation 吉布斯系综模拟氮气水和氧气水的气液相平衡
Gibbs Ensemble Monte Carlo Simulation of Adsorption Equilibrium of Methane Gibbs系综MonteCarlo模拟甲烷的吸附平衡
The potential parameters of HCFC-R22 have been determined using the effective Stockmayer potential model developed by Gao, Wang and Zeng. The parameters have been tested through vapor-liquid equilibria in terms of the Gibbs ensemble Monte Carlo simulation. 采用等效Stockmayer势能模型得到R22的势能参数,并应用Gibbs系综模拟汽液平衡予以考察。
This paper is an application of Gibbs canonical ensemble to the derivation of Boltzmann Distribution law. 应用吉布斯正则系综导出了玻耳兹曼分布律。