甲烷对超临界CO2/水/岩石体系润湿特性影响的分子动力学模拟研究

Molecular dynamics simulation of the effect of methane on wettability of supercritical CO2 / water/rock system

中文关键词: CO2地质封存  润湿性  咸水层  分子动力学模拟

英文关键词: CO2 sequestration  wettability  saline aquifers  molecular dynamics simulation

中文摘要:

      二氧化碳捕集及封存（CCS）技术以其减少碳排放量的高效性，成为各国解决碳排放问题的首要选择。通过分子动力学模拟方法，探究了地质封存环境下，在不同岩石结构表面，二氧化碳中混入甲烷对润湿性的影响规律。结果表明，在温度为318.00K、压力为20MPa的环境下，二氧化碳中混入摩尔分数为20％的甲烷，对水在结构分别为Q3和（Q3+Q4）岩石表面的接触角均无显著影响。

英文摘要:

      Environmental problems caused by carbon dioxide emissions have aroused widespread concern in the international community. Researchers are conducting scientific research and technological development to reduce carbon emissions. Carbon Capture and Storage (CCS) are regarded as the first choice to tackle carbon emissions by its effectiveness. Using the method of molecular dynamics simulation, the effects of methane adding to carbon dioxide on wettability in CCS were explored on different rock structure surfaces. The results show that there is no significant influence of adding methane (20%) into carbon dioxide, when the temperature is 318.00K and the pressure is 20MPa, on the rock surface with Q3 and (Q3+Q4).