1. CH4,CO2和 N2多组分气体在煤分子中吸附热力学特性的分子模拟.
- Author
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李树刚, 白杨, 林海飞, 严敏, and 龙航
- Abstract
In order to explore the thermodynamic mechanism of multicomponent gas adsorption on coal, the Grand Canonical Monte Carlo simulation method was used to study the adsorption behavior of CH4, CO2 and N2 in the coal molecular model at different temperatures from the perspective of thermodynamics. The simu-lation results show that CH4 shows a dotted distribution, CO2 shows a cluster distribution, and N2 shows a strip distribution in the unit cell. The relationship between the adsorption capacity, adsorption heat and adsorption entropy of the three gases is CO2> CH4> N2. And the relationship between the adsorption potential of the three gases is CO2
- Published
- 2018
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