采用分子模拟软件Materials Studio 2017 R2，分别构建不同侧链烷基数的疏水缔合单体与丙烯酰胺（AM）、2-丙烯酰胺基-2-甲基丙磺酸（AMPS）聚合，建立聚合物与水分子的混合图层，进行分子动力学模拟，计算不同聚合物在水中的均方根末端距、回旋半径。从模拟结果来看，含十六烷基二甲基烯丙基氯化铵（C₁₆-DMAAC）单体的聚合物分子链尺寸更舒展、具有更大的流体力学尺寸，会产生更好的减阻效果。利用AM、AMPS、C₁₆ DMAAC通过反向乳液聚合法在室内合成了疏水缔合减阻剂P（AM/C₁₆-DMAAC/AMPS），对其进行红外分析和粒径分析。利用流体流动阻力测试仪测定不同减阻聚合物的减阻率，由C₁₆ DMAAC聚合的减阻剂减阻率可达到70%以上，减阻效果最好，且与模拟结果一致。

The molecular modeling software Materials Studio 2017 R2 is used to construct a polymerization between hydrophobic associative monomers with different side chain alkyl groups and acrylamide (AM),and 2-acrylamido-2-methylpropanesulfonic acid (AMPS),respectively.A mixing layer of polymer and water molecules is set up to simulate the molecular dynamics,and the root mean square end distance and gyration radius of different polymers are calculated.According to the simulation results,the polymer molecular chain containing hexadecyl dimethyl allyl ammonium chloride (C₁₆-DMAAC) monomer has a more stretchable dimension and a greater hydrodynamic size,which can bring about a better drag reduction effect.A hydrophobically associated drag reducing agent,P(AM/C₁₆-DMAAC/AMPS) is synthesized via reverse emulsion polymerization in laboratory with AM,AMPS and C₁₆ DMAAC as raw materials,and is determined by infrared analysis and particle size analysis.The drag reduction rates of different drag reduction polymers are measured by flow resistance tester.The drag reduction rate of C₁₆ drag reduction agent can exceed 70%,the best among the polymers measured and consistent with the simulation results.

郭昊(1990-),男,博士生,研究方向为油田化学,978478964@qq.com