A comprehensive review of molecular dynamics simulation on the replacement characteristics and mechanism of CO₂‐CH₄ hydrate in porous media systems

Abstract

Natural gas hydrate (NGH), is a new green‐sustainable energy source, and the process of recovering CH4 from NGH by replacing CO2 is regarded as an advantageous way to mine NGH. However, improving the replacement efficiency of CO2‐CH4 hydrate is a critical problem in the CO2 replacement mining process. The feasibility study of the replacement for CO2‐CH4 hydrate, as well as the research status of the replacement characteristics for various situations, is examined in this review. Additionally, the microscopic mechanism of CO2‐CH4 hydrate replacement in porous media is explored in detail. The basic molecular dynamic (MD) simulation method and primary influencing factors of CO2‐CH4 hydrate replacement were summarized systematically. Finally, the shortcomings of MD simulation of CO2‐CH4 hydrate replacement process in porous medium system and the future development direction are pointed out. The relevant results will offer helpful direction for future NGH exploitation. © 2024 Society of Chemical Industry and John Wiley & Sons, Ltd.