Metal Nanoparticle-Enhanced Gas Hydrate Growth with Sodium Dodecyl Sulfate: A Microscopic Simulation Study

Methane hydrates are of significant interest for applications in gas storage, cold storage, carbon sequestration, and other diverse fields. While compound additives, including nanoparticles, are known to play a crucial role in hydrate formation, the microscopic mechanisms underlying their synergistic effects remain poorly understood. In this study, molecular dynamics simulations are employed to investigate the influence of copper (Cu)/silver (Ag) nanoparticles and sodium dodecyl sulfate (SDS) on methane hydrate formation. Our analysis of methane phase behavior reveals that, in Cu-based systems, bubble formation is prevalent, providing a scaffold for subsequent hydrate growth and ensuring structural stability. In contrast, Ag-based systems exhibit minimal bubble formation, allowing methane to bypass the bubble phase and directly contribute to hydrate formation. Notably, we demonstrate that metal nanoparticles, in the presence of SDS, stabilize the hydrate structure and can occupy hydrate cages as guest molecules. This study offers new insights into the complex dynamics of additive interactions in hydrate systems, underscoring their potential for optimizing methane hydrate formation in industrial applications. Our findings establish a framework for the rational design of additive combinations, which could advance hydrate-based technologies for gas storage, carbon capture, and beyond.