Simulated study on CH4 adsorption by Shanxi gas-fat coal at different moisture contents

被引：0
|
作者：
Lin Wang
Xiangjun Chen
Dezhang Wang
Xiaodan Wang
机构：
[1] Jinneng Holding Shanxi Science and Technology Research Institute Co.,College of Safety Science and Engineering
[2] Ltd. (Jincheng) Technology Centre,undefined
[3] Henan Polytechnic University,undefined
[4] State Key Laboratory Cultivation Base for Gas Geology and Gas Control,undefined
[5] Henan Polytechnic University,undefined
来源：
Journal of Molecular Modeling | 2023年 / 29卷
关键词：
Gas-fat coal; Adsorption capacity; Surface free energy; Molecular simulation;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Context To investigate the impact of moisture on gas adsorption in gas-fat coal, Shanxi gas-fat coal was chosen as the research subject. The Adsorption module within molecular simulation software was utilized to construct gas-fat coal models with moisture contents of 0%, 1.14%, 2.26%, and 3.72%. The results revealed that the isothermal adsorption curves of gas-fat coal under different moisture contents all followed the Langmuir adsorption curve (Type Ι), wherein the Langmuir volume of gas-fat coal was most sensitive to changes in moisture content within the range of 0 to 1.14%. A linear equation was found to better characterize the influence of moisture on gas content in Shanxi gas-fat coal, represented by the formula η = 1/(1 + 1.98078w), where, η represents the moisture impact coefficient; w is the moisture content; 1.98078 is the coefficient of moisture influence of Shanxi gasifier coal. Coupled with changes in the surface free energy of gas-fat coal, the pressure exerted a positive effect on the adsorption of gas on the coal surface, enhancing the adsorption space of methane within gas-fat coal.
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