[H-SC06] 地球温暖化防⽌と地学（CO2地中貯留・有効利⽤、地球⼯学）

[HSC06-01] 分子動力学シミュレーションによるCO₂-水界面張力に対する温度影響の検討

*志賀 正茂¹、森下 徹也^2,3、徂徠 正夫¹ (1.国立研究開発法人産業技術総合研究所地質調査総合センター地圏資源環境研究部門CO2地中貯留研究グループ、2.国立研究開発法人産業技術総合研究所 機能材料コンピュテーショナルデザイン研究センター、3.国立研究開発法人産業技術総合研究所・東北大学 数理先端材料モデリングオープンイノベーションラボラトリ)

キーワード：CO2地中貯留、地熱資源、界面張力、分子動力学シミュレーション

In order to significantly reduce the amount of CO₂ emitted into the atmosphere and to achieve efficient resource development, research on CCUS (Carbon Capture, Storage, and Utilization) has been actively conducted for several decades. In recent years, high-temperature reservoirs have been considered for CO₂ injection. This is aimed at the development of unconventional geothermal resources and CO₂ deposits.
Since the value of CO₂-water interfacial tension is a fundamental property of fluid behavior in the CO₂-water-rock system, many studies have been reported. However, with the above technique, the temperature of the geothermal reservoir may rise to about 300°C, which is much higher than the typical conditions of CCUS. Measurements under such high-temperature conditions are not easy, and no experimental data have been reported in existing studies.
Therefore, in this study, we performed molecular dynamics simulations to estimate the interfacial tension up to 300 °C and investigated the detailed physical properties such as density and dynamics.