Investigation of CO2-CH4-H2O Diffusion in Gas Reservoirs: Combining Experimental Measurement and Molecular Dynamics Simulation
ガス貯留層におけるCO2-CH4-H2O拡散の調査：実験測定と分子動力学シミュレーションの組み合わせ (AI 翻訳)
Zhouhua Wang, Xiaolong Zhou, Yun Li, Jianfei Zhao, Kunpeng Fan, H. Tu, Yulong Zhao, Lianhua Xia, Xin Wang
🤖 gxceed AI 要約
日本語
本研究は、CO2-CH4-H2O系の拡散挙動を実験と分子動力学シミュレーションで解明。拡散係数はDCH4 > DCO2 > DFickの順で圧力上昇とともに減少。水の存在がガス-水界面でのCO2濃縮を促進し拡散を抑制。CCUSの効率向上に寄与する知見。
English
This study combines experiments and molecular dynamics simulations to investigate CO2 diffusion in CO2-CH4-H2O systems under reservoir conditions. Diffusion coefficients decrease with pressure; water promotes CO2 enrichment at the gas-water interface, reducing diffusivity. Provides insights for optimizing CCUS and EGR operations.
Unofficial AI-generated summary based on the public title and abstract. Not an official translation.
📝 gxceed 編集解説 — Why this matters
日本のGX文脈において
日本はCCUS技術の開発と実証を推進しており、本研究成果は貯留層でのCO2挙動の理解を通じて、効率的な貯留戦略の策定に貢献しうる。
In the global GX context
Globally, CCUS is a key decarbonization technology. This paper's molecular-scale insights into CO2 diffusion under reservoir conditions can help improve the efficiency and safety of carbon storage projects.
👥 読者別の含意
🔬研究者:Provides experimental and simulation data on CO2 diffusion in multicomponent systems, useful for model validation and fundamental understanding.
🏢実務担当者:Offers theoretical support for optimizing gas injection strategies in CCUS and enhanced gas recovery operations.
📄 Abstract（原文）
Accurate prediction of CO2 diffusion in multicomponent fluids is crucial for efficient enhanced oil and gas recovery (EGR) and carbon capture, utilization and storage (CCUS) operations. Conventional experimental methods struggle to accurately reproduce diffusion processes under reservoir conditions and provide limited insight into molecular-scale mechanisms. Therefore, a detailed microscopic understanding of CO2 diffusion in complex fluids is urgently needed. In this study, the diffusion behavior and underlying mechanism of the CO2-CH4-H2O system under reservoir temperature and pressure conditions were explored using both experimental techniques and molecular dynamics (MD) simulations. The results indicate that at 354.15 K, the diffusion coefficients follow the order DCH4 > DCO2 > DFick and decrease with increasing pressure. Higher CO2 concentrations and water content lead to a reduction in DCO2. Gravity exhibits a relatively minor influence, slightly enhancing DCO2 while marginally reducing DCH4. Near the critical point, a significant decrease in the thermodynamic factor indicates drastic changes in thermodynamic properties. Furthermore, the presence of water promotes CO2 enrichment at the gas-water interface, consequently reducing both DCO2 and DCH4. This work provides valuable insights into bulk-phase transport in multicomponent aquifer systems under reservoir conditions and offers theoretical support for optimizing gas injection strategies and improving the efficiency of EGR and CCUS processes.
🔗 Provenance — このレコードを発見したソース
- semanticscholar https://doi.org/10.3390/pr14071177first seen 2026-05-06 00:01:37
gxceed は公開メタデータに基づく研究支援データセットです。要約・翻訳・解説は AI 支援で生成されています。 最終的な解釈・検証は利用者が原典資料に基づいて行うことを前提とします。