【摘要】 采用分子动力学模拟方法研究过氧化氢水(HP)溶液作用下结构I型(SI)甲烷水合物晶体分解特性.系统分析甲烷水合物在过氧化氢水溶液作用下由晶态向液态转变过程的机理,对比相同摩尔浓度乙二醇(EG)溶液作用下甲烷水合物分解变化规律,得出HP与水合物热力学抑制剂EG一样对甲烷水合物分解具有促进作用,为HP溶液促进甲烷水合物分解实验研究提供参考.更多还原

【Abstract】 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.更多还原