摘要：为了对比甲烷和二氧化碳在页岩储层中的吸附情况，利用Materials Studio模拟软件通过蒙特卡洛和分子动力学模拟方法，计算甲烷和二氧化碳在伊利石、蒙脱石、15.5 Å含水蒙脱石和18.5 Å含水蒙脱石狭缝中的吸附情况。结果表明：粘土矿物对甲烷和二氧化碳的吸附为物理吸附；蒙脱石的吸附性较伊利石更强，但在含水蒙脱石中水分子的存在会降低其吸附性；粘土矿物对二氧化碳的吸附性比甲烷强且其吸附体系更加稳定，因此在页岩储层中可以利用二氧化碳来驱替甲烷，从而提高页岩气的开采率并且实现二氧化碳的地质埋存。
Abstract:In order to compare the adsorption of methane and carbon dioxide in shale reservoirs, Materials Studio simulation software was used to calculate the adsorption of methane and carbon dioxide in slits of illite, montmorillonite, 15.5 Å hydrated montmorillonite and 18.5 Å hydrated montmorillonite by using Monte Carlo and molecular dynamics simulation methods.The results showed that the adsorption of methane and carbon dioxide in clay minerals was physical adsorption;Montmorillonite had a stronger adsorption capacity than illite, but the presence of water molecules in hydrated montmorillonite could reduce its adsorption capacity;The adsorption capacity of carbon dioxide in clay minerals was stronger than that of methane and the adsorption system of carbon dioxide was also more stable, therefore, carbon dioxide could be used to displace methane in shale reservoirs, thereby improving the extraction rate of shale gas and achieving the geological burial of carbon dioxide.
摘要：为了对比甲烷和二氧化碳在页岩储层中的吸附情况，利用Materials Studio模拟软件通过蒙特卡洛和分子动力学模拟方法，计算甲烷和二氧化碳在伊利石、蒙脱石、15.5 Å含水蒙脱石和18.5 Å含水蒙脱石狭缝中的吸附情况。结果表明：粘土矿物对甲烷和二氧化碳的吸附为物理吸附；蒙脱石的吸附性较伊利石更强，但在含水蒙脱石中水分子的存在会降低其吸附性；粘土矿物对二氧化碳的吸附性比甲烷强且其吸附体系更加稳定，因此在页岩储层中可以利用二氧化碳来驱替甲烷，从而提高页岩气的开采率并且实现二氧化碳的地质埋存。
Abstract:In order to compare the adsorption of methane and carbon dioxide in shale reservoirs, Materials Studio simulation software was used to calculate the adsorption of methane and carbon dioxide in slits of illite, montmorillonite, 15.5 Å hydrated montmorillonite and 18.5 Å hydrated montmorillonite by using Monte Carlo and molecular dynamics simulation methods.The results showed that the adsorption of methane and carbon dioxide in clay minerals was physical adsorption;Montmorillonite had a stronger adsorption capacity than illite, but the presence of water molecules in hydrated montmorillonite could reduce its adsorption capacity;The adsorption capacity of carbon dioxide in clay minerals was stronger than that of methane and the adsorption system of carbon dioxide was also more stable, therefore, carbon dioxide could be used to displace methane in shale reservoirs, thereby improving the extraction rate of shale gas and achieving the geological burial of carbon dioxide.
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