疏水缔合减阻剂的分子模拟
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摘要
采用分子模拟软件Materials Studio2017R2分别构建非离子型疏水改性聚丙烯酰胺(HM-PAM)、部分水解水溶性疏水缔合聚丙烯酰胺(HAWSP)、部分水解阴离子型聚丙烯酰胺(HPAM)溶液模型,通过分子动力学模拟的方法来计算HPAM、HAWSP与HM-PAM类聚合物在不同Na Cl浓度下的回旋半径(Rg)、均方位移(MSD)。从模拟结果来看,HAWSP与HMPAM、HPAM相比具有更大的回旋半径、更大的特性黏数、更大的流体力学尺寸,会产生更好的减阻效果。在室内采用流体流动阻力测试仪测定HPAM、HAWSP与HM-PAM减阻聚合物在不同Na Cl浓度、不同剪切条件下的减阻性能。实验结果表明,HAWSP型聚合物减阻效果良好,与HM-PAM、HPAM相比具有更好的耐盐性、抗剪切性,与模拟结果一致。
The solution models for non-ionic hydrophobically modified polyacrylamide(HM-PAM),partially hydrolyzed hydrophobically associating water-soluble polyacrylamide(HAWSP) and partially hydrolyzed anionic polyacrylamide(HPAM) are established respectively by molecular simulation software Materials Studio 2017 R2. The radius of gyration(Rg) and mean square displacement(MSD) of HPAM,HAWSP and HM-PAM polymers at different Na Cl concentrations are calculated by molecular dynamics simulation.Compared with HM-PAM and HPAM,HAWSP has bigger gyration radius,bigger intrinsic viscosity and bigger hydrodynamic dimension,and can bring about better drag reduction effect.The drag reduction properties of HPAM,HAWSP and HM-PAM under different Na Cl concentrations and shear conditions are measured by flow resistance tester in laboratory.The experimental results indicate that HAWSP has good drag reduction effect and exhibits better salt tolerance and shear resistance than HPAM and HPAM,which is consistent with the simulation results.
The solution models for non-ionic hydrophobically modified polyacrylamide(HM-PAM),partially hydrolyzed hydrophobically associating water-soluble polyacrylamide(HAWSP) and partially hydrolyzed anionic polyacrylamide(HPAM) are established respectively by molecular simulation software Materials Studio 2017 R2. The radius of gyration(Rg) and mean square displacement(MSD) of HPAM,HAWSP and HM-PAM polymers at different Na Cl concentrations are calculated by molecular dynamics simulation.Compared with HM-PAM and HPAM,HAWSP has bigger gyration radius,bigger intrinsic viscosity and bigger hydrodynamic dimension,and can bring about better drag reduction effect.The drag reduction properties of HPAM,HAWSP and HM-PAM under different Na Cl concentrations and shear conditions are measured by flow resistance tester in laboratory.The experimental results indicate that HAWSP has good drag reduction effect and exhibits better salt tolerance and shear resistance than HPAM and HPAM,which is consistent with the simulation results.
引文
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[5]刘艳艳,陈攀科,罗健辉,等.聚丙烯酰胺稀溶液的分子模拟[J].物理化学学报,2010,26(11),2907-2914.
[6]梅拥军,韩一秀,周洪,等.疏水缔合聚丙烯酸与蠕虫状胶束的协同作用[J].物理化学学报,2012,28(7),1751-1756.
[7]方道斌,郭睿威,哈润华.丙烯酰胺聚合物[M].北京:化学工业出版社,2006:1-86.
[8]陈洪,韩利娟,徐鹏,等.疏水改性聚丙烯酰胺的增粘机理研究[J].物理化学学报,2003,19(11),1020-1024.
[9]Chen P K,Yao L,Liu Y Y,et al.Experimental and theoretical study of dilute polyacrylamide solutions:Effect of salt concentration[J].J Mol Model,2012,18:3153-3160.
[10]Pan R,Liu X K,Zhang A M,et al. Molecular simulation on structure-property relationship of polyimides with methylene spacing groups in biphenyl side chain[J]. Com Mater Sci,2007,29:887-889.
[11]李拨.聚丙烯酰胺水溶液减阻及抗剪切特性实验研究[D].哈尔滨:哈尔滨工业大学,2009.
[12]White A.Flow characteristics of complex soap systems[J].Nature,2005,(214):585-586.
[13]Cipclla C L,Lolon E P,Dzuhin B. Evaluating simulation effectiveness in unconventinal gas reservoirs[R]. SPE 124843,2009.
[14]张恒,王华,蔺存国,等.部分水解的预交联凝胶型聚丙烯酰胺的水化层结构[J].化学学报,2013,(4):649-656.
[15]鲍晋,罗平亚,郭拥军,等.疏水缔合聚合物湍流减阻特性影响因素[J].精细化工,2015,32(3):327-332.
[16]马国艳,沈一丁,李楷,等.滑溜水压裂液用聚合物减阻剂性能[J].精细化工,2016,33(11):1295-1300.
[17]崔强,张金功,薛涛.疏水缔合聚合物减阻剂的合成及流变性能[J].精细化工,2018,35(1):149-157.
[18]鲍晋.页岩气藏体积改造疏水缔合聚合物压裂液基础研究[D].成都:西南石油大学,2015,.
[19]Shinji Tamano,Hiroki Ikarashi,Yohei Morinishi,et al. Drag reduction and degradation of nonionic surfactant solutions with organic acid in turbulent pipe flow[J]. Journal of Non-Newtonian Fluid Mechanics,2015,215(1):1-7.
[20]Hayder A Abdulbari,Ainoon Shabirin,Abdurrahman H N.Bio-polymers for improving liquid flow in pipelines—A review and future work opportunities[J].Journal of Industrial and Engineering Chemistry,2013,20(4):1157-1170.