用分子动力学模拟方法研究甲烷水合物热激法分解,系统地研究注入340K液态水的结构Ⅰ型甲烷水合物的分解机理.模拟显示水合物表层水分子与高温液态水分子接触获得热能,分子运动激烈,摆脱水分子间的氢键束缚,笼状结构被破坏.甲烷分子获得热能从笼中挣脱,向外体系扩散.热能通过分子碰撞从外层传递给内层水分子,水合物逐层分解.对比注入277K液态水体系模拟结果,得出热激法促进水合物分解. Molecular dynamics simulation was used to study the decomposition mechanism of methane hydrate by heat shock method. The mechanism of decomposition of type I methane hydrate into 340K liquid water was systematically studied. The simulation shows that the surface water molecules of hydrates contact with high temperature liquid water molecules to obtain thermal energy. Intense movement, get rid of the hydrogen bond between the water molecules bond, cage structure is destroyed .Methane molecules get heat from the cage break free, outward diffusion system .Heat collision through the molecular transfer from the outer layer to the inner water molecules, hydrates layer by layer Compared with 277K liquid water system simulation results, heat shock was obtained to promote hydrate decomposition.