基于长链疏水单体的新型疏水缔合聚合物的分子动力学模拟  

Molecular Dynamics Simulation of Novel Hydrophobically Associating Polymers Based on Long-chain Hydrophobic Monomers

作　　者：魏媛[1] 王梦颖[2] 魏玲艳[1] 李毓哲 刘鹏 戴姗姗[3,4] WEI Yuan;WANG Mengying;WEI Lingyan;LI Mingzhe;LIU Peng;DAI Shanshan(Technical Monitoring Center,Zhongyuan Oilfield Branch Company,Sinopec,Puyang,Henan 457001,P R of China;Research Institute of Petroleum Exploration&Development,PetroChina,Beijing 100083,P R of China;College of Chemistry and Chemical Engineering,Southwest Petroleum University,Chengdu,Sichuan 610500,P R of China;Engineering Research Center of Oilfield Chemistry,Ministry of Education,Chengdu,Sichuan 610500,P R of China)

机构地区：[1]中国石化中原油田分公司技术监测中心,河南濮阳457001 [2]中国石油勘探开发研究院,北京100083 [3]西南石油大学化学化工学院,四川成都610500 [4]油田化学教育部工程研究中心,四川成都610500

出　　处：《油田化学》2023年第2期249-256,共8页Oilfield Chemistry

摘　　要：为了探究不同疏水单体对聚合物类减阻剂耐盐性能的影响,采用分子动力学模拟方法研究了3种不同的疏水长链型疏水单体与亲水的丙烯酰胺(AM)、丙烯酸(AA)、2-丙烯酰胺基-2-甲基丙磺酸(AMPS)共聚形成的疏水缔合聚合物在盐溶液中的减阻性能和聚集行为。结果表明:3种疏水单体均能提高共聚物与水的相互作用,其中疏水长链由亲水的烷氧基链、烷基链和芳环类疏水基共同组成的疏水单体性能最优异。3种疏水单体均能提高共聚物的回转半径,且链长更长并带有芳环类疏水基的疏水单体使共聚物的流体力学半径更大;此外,聚合物疏水链的疏水缔合有利于促进共聚物通过氢键进行分子间交联,形成聚合物链之间的空间网络结构,增加聚合物链的刚性。减阻性能测试验证了分子动力学模拟结果的正确性。In order to investigate the effect of different hydrophobic monomers on the salt resistance of polymer drag reducers,the drag reduction performance and aggregation behavior of hydrophobic association polymers formed by copolymerization of three different Hydrophobic monomers with hydrophobic long chain with acrylamide(AM),acrylic acid(AA)and 2-acrylamide-2-methyl propane sulfonic acid(AMPS)in salt solution were studied by molecular dynamics simulation.The results showed that all three hydrophobic monomers could improve the interaction between the copolymer and water.Among them,the hydrophobic monomers with long hydrophobic chains composed of hydrophilic alkoxy chains,alkyl chains,and aromatic hydrophobic groups had the best performance.The three hydrophobic monomers could increase the radius of gyration of the copolymer,and the hydrophobic monomers with longer hydrophobic chains and aromatic hydrophobic groups made the hydrodynamic radius of the copolymer larger.In addition,the hydrophobic association of polymer hydrophobic chains was conducive to promoting the intermolecular crosslinking of copolymers through hydrogen bonds,forming the spatial network structure between polymer chains and increasing the rigidity of polymer chains.The drag reduction performance test verified the correctness of the molecular dynamics simulation results.

关 键 词：分子动力学模拟 疏水缔合聚合物 减阻 相互作用能 

分 类 号：TE357.46[石油与天然气工程—油气田开发工程]