为解决水合物堵塞井筒管道的问题，通过分子设计研究了一种聚表型动力学水合物抑制剂聚N-乙烯基吡咯烷酮／N-乙烯基己内酰胺／二十二烷基聚氧乙烯醚甲基丙烯酸酯（PNVP/NVCL/BEM），通过红外光谱图及核磁共振H谱图对其结构进行了表征，性能评价结果表明抑制剂加入后，过冷度降低（-8.1 ℃），诱导时间增加（27.8 min），通过密度泛函理论研究发现碳链骨架倾向于提供电子，而酯基倾向于接收电子发生反应，在分子动力学模拟后，发现抑制剂能够占据已有的水分子笼，而氢键的增加，表明其通过相互作用阻止甲烷分子进入水分子笼，从而抑制了水合物的形成。最后筛选热力学抑制剂和防聚剂与之复配得到抑制剂配方为10%甲醇+0.75%油酸甜菜碱+0.75% PNVP/NVCL/BEM（加入后的过冷度为-13 ℃，诱导时间为100.7 min），其抑制效果达到了20%甲醇的效果，大大降低了甲醇的使用量，从而减少了对环境和下游乙烷制乙烯的影响。

To solve the problem of hydrate blockage in wellbore pipelines, a polymeric dynamic hydrate inhibitor, poly N-vinylpyrrolidone/N-vinylcaprolactam/dodecyl polyoxyethylene ether methacrylate (PNVP/NVCL/BEM), was studied through molecular design. Its structure was characterized by infrared spectroscopy and nuclear magnetic resonance H-spectrum. The performance evaluation results show that after the inhibitor is added, the subcooling degree decreases (- 8.1 ℃), and the induction time increases (27.8 min). Through density functional theory research, it is found that the carbon chain skeleton tends to provide electrons, while the ester group tends to receive electrons and react. After molecular dynamics simulation, it is found that the inhibitor can occupy the existing water molecule cage, and the increase of hydrogen bonds It indicates that it inhibits the formation of hydrates by preventing methane molecules from entering the water molecule cage through interaction. Finally, thermodynamic inhibitors and anti polymerization agents were screened and combined to obtain an inhibitor formula, which consisted of 10% methanol, 0.75% oleic acid betaine, and 0.75%PNVP/NVCL/BEM (the subcooling degree after addition is -13 ℃, and the induction time is 100.7 min), and its inhibitory effect reached that of 20% methanol. The usage of methanol has been significantly reduced to minimize the impact on the environment and the downstream ethylene production from ethane.