Sequestering CO2 in depleted gas reservoirs using carbon capture, utilization, and storage technologies has emerged as a viable strategy for mitigating global carbon emissions. However, CO2 hydrate formation during injection processes is challenging and poses a risk to the operational integrity and efficiency of sequestration projects. This study investigated CO2 hydrate formation dynamics within silica gel environments that closely mimicked the median pore size of natural sandstone reservoirs, particularly targeting depleted gas fields in the East Sea of Korea. Integrating kinetic insights into experimental hydrate formation assessments and molecular dynamics simulations provided a comprehensive understanding of the CO2 hydrate formation mechanisms, as well as the formation dynamics and stability of the CO2 hydrates. For example, the hydrate formation kinetics were significantly reduced in the small pores, suggesting the feasibility of implementing more economical hydrate inhibitor injection strategies during CO2 injection. Moreover, this study evaluated the inhibitory effects of NaCl and methanol on CO2 hydrate stability by accurately measuring the three-phase (H-Lw-V) equilibria and employing silica gels (6 nm pore size). The presence of methanol and amorphous silica significantly impacted hydrate formation, with methanol potentially influencing the local structure around the hydrate phase and silica hindering hydrate growth through dynamic interactions with CO2 molecules. In addition, we elucidated the complex interplay between CO2, water, and methanol (hydrate inhibitor) within the constrained environments of porous media, offering strategic insights for the development of effective CO2 injection and sequestration strategies. Integrating molecular-level observations with real-world geological modeling presents a novel methodology for enhancing the safety, efficiency, and environmental sustainability of carbon capture and storage operations. The findings of this study provide critical insights into hydrate phase behavior, highlighting the importance of precise equilibrium determination under simulated reservoir conditions to effectively anticipate and mitigate hydrate formation challenges.
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