Molecular Insight into the Inhibitory Effects of Amino Acids on Natural Gas Hydrate

Abstract This study investigates the effectiveness of amino acid inhibitors (histidine, glycine, alanine, and proline) in preventing the formation of C1+C3 structure II hydrates, which are known to disrupt the flow of hydrocarbon transportation. Using GROMACS molecular dynamics simulations, the interaction between these amino acids and water molecules was analyzed under conditions conducive to sII hydrate formation. The analysis focused on parameters such as visualization and F3 and F4 order metrics, which suggest that lower values correspond to a liquid-like state, essential for confirming the effectiveness of the inhibitors. The results indicate that histidine and proline significantly inhibit hydrate formation, with histidine being the most effective, followed by proline. Glycine and alanine were found to be less effective. The study highlights the potential of histidine and proline as sustainable options for mitigating gas hydrate risks in pipelines and suggests a pathway toward environmentally friendly inhibition strategies in the oil and gas industry.