采用分子动力学模拟的方法，在恒温、恒压系综（NPT）下考察环戊烷、四氢吡喃、四氢呋喃3种环状化合物促进剂对SⅡ型煤层气水合物结构稳定性的影响。研究结果表明，在模拟体系温度为263 K、压力为10 MPa时，环戊烷促进剂的存在可有效提高煤层气水合物结构的稳定性；在相同温度与压力体系下，四氢呋喃对煤层气水合物的促进效果优于四氢吡喃。通过水合物稳定性的评价指标分析，环状促进剂分子和水分子中氧原子的动力学运动状态与煤层气水合物的稳定性有直接关联。

Molecular dynamics simulation method is utilized to research the effects of three thermodynamic accelerators such as cyclopentane,tetrahydropyran and tetrahydrofuran on the stability of SⅡ coalbed methane hydrate under constant temperature and pressure.Research results show that the presence of cyclopentane accelerator can improve effectively the stability of coalbed methane hydrate structure under the simulation conditions of 263 K and 10 MPa.Under the same simulation conditions,the promotion effect of tetrahydrofuran is better than that of tetrahydropyran.From the evaluation index analysis of hydrate stability,the dynamic movement of oxygen atoms in accelerator molecules and water molecules has a direct impact on the stability of coalbed methane hydrates.

贾菊(1994-),女,硕士生