微狭缝中甲烷吸附特性的分子动力学模拟

Study on the Adsorption Characteristics of Methane in SlitUsing Molecular Dynamics Simulation

中文关键词: 页岩气  分子动力学模拟  吸附特性  体系压力

英文关键词: Shale gas  Adsorption  Molecular dynamics simulation

中文摘要:

      为了研究甲烷在纳米尺度狭缝中的吸附特性,本文采用分子动力学模拟的方法研究了温度、压力以及狭缝表面的水滴对甲烷吸附情况的影响。研究表明：1)降低温度和增大压力均能使吸附相的密度增大、吸附层的层数增加、吸附区扩大。2)升高压力将使吸附作用减弱。温度较低时,升高温度将使吸附作用增强；温度较高时,升高温度将使吸附强度减弱。3)狭缝表面存在水滴时,狭缝对甲烷的吸附作用被明显削弱。

英文摘要:

      A molecular dynamics simulations method was adopted to study the effects of temperature, pressure, and the water droplets on slit surface on mathane adsorption. The results show that Reducing temperature or increasing pressure can increase the denisty of the adsorbed methane, add adsorption layer number and expand adsorbtion area. Icreasing pressure will weaken adsorption. At a low temperature , adsorbtion will be enhanced by raising temperature; at a high temperature, increasing temperature will weaken adsorption effect. When droplets lie on the surface of slit. the adsorption will be significantly weakened.