Molecular Dynamics Simulation on Characteristics of Decomposition of Methane Hydrate in the Presence of Hydrogen Peroxide Solution

In this work, the characteristics of the decomposition of methane hydrate Structure I (SI) in the presence of hydrogen peroxide solution is investigated using the molecular dynamics simulation. The mechanism of the transformation process from the solid hydrate to the liquid is analyzed with the effect of hydrogen peroxide (HP) solution. In addition, the effect of ethylene glycol (EG) with the same molar concentration with HP on the methane hydrate dissociation is also studied. The results illustrate that both HP and EG promote well the hydrate dissociation. The work provides the important reference value for the experimental investigation into the promotion effect of HP on the hydrate dissociation.

国家自然科学基金(Nos20676133,20773133);国家高技术研究发展计划(No2006AA05Z319);中科院重大科研装备(NoYZ200717);中过科学院知识创新工程重要方向(NoKGCX2-YW-3X6);国家-广东省自然科学联合基金项目(NoU0733003);973计划(No2009CB219507)