Molecular Simulation on Adsorption Difference of Water and Methane on Long-Flame Coal

Xiangjun Chen, S. Nie, Ningning Kang, San Zhao, Lingling Qi
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引用次数: 1

Abstract

The adsorption difference of water and methane by long-flame coal is compared and analyzed by molecular simulation. The results show that when the single-component isothermal adsorption pressure is less than 15 MPa, the adsorption capacity of CH4 and H2O increases gradually with the increase of the adsorption pressure, and the average adsorption amount of H2O is much higher than that of CH4; after more than 15 MPa, the average adsorption amount of CH4 and H2O is saturated. When the two-component isothermal adsorption pressure is less than 0.7595 MPa, the long-flame coal molecule can adsorb both CH4 and H2O; after more than 0.7595 MPa, the average adsorption amount of H2O is much larger than that of CH4 indicating that H2O is in a dominant position in the competitive adsorption with CH4.
长焰煤对水和甲烷吸附差异的分子模拟
采用分子模拟的方法,比较分析了长焰煤对水和甲烷的吸附差异。结果表明:当单组分等温吸附压力小于15 MPa时,随着吸附压力的增大,CH4和H2O的吸附量逐渐增大,H2O的平均吸附量远高于CH4;大于15 MPa后,CH4和H2O的平均吸附量达到饱和。当双组分等温吸附压力小于0.7595 MPa时,长焰煤分子能同时吸附CH4和H2O;在超过0.7595 MPa后,H2O的平均吸附量远大于CH4的平均吸附量,表明H2O在与CH4的竞争吸附中处于优势地位。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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