石油化工2025，Vol.54Issue(11)：1587-1593,7.DOI:10.3969/j.issn.1000-8144.2025.11.006
无机盐对剪切作用下阴离子型聚丙烯酰胺水溶液作用机制的分子动力学模拟
Molecular dynamics simulation of action mechanism of inorganic salts on anionic polyacrylamide aqueous solution under shear effect
吴柄秀 1李汉勇 1张怡航 1吴姗姗 1张志莲1
作者信息
- 1. 北京石油化工学院 机械工程学院 深水油气管线关键技术与装备北京市重点实验室,北京 102627
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摘要
Abstract
The action mechanism of inorganic salts on anionic polyacrylamide(HPAM)aqueous solution under shear effect was studied by molecular dynamics.The results show that sodium salt has a larger coordination number than potassium salt in HPAM aqueous solution,which can more effectively shield the oxygen anions(O-)on HPAM molecules,resulting in a greater shrinkage of molecular chains and a smaller volume of the solution.With the increase of shear rate,the dominant role of hydrogen bonds formed between O-in HPAM molecules and hydrogen atoms in water molecules gradually weakens,and solution viscosity shows shear thinning characteristics.The analysis of radial distribution function and radius of gyration shows that sodium salt significantly weakens the interaction between HPAM and water molecules during shear process more than potassium salt,aggravates the destruction of hydrogen bond network,and leads to the decrease of solution viscosity.The results of this study provide a theoretical basis for elucidating the synergistic mechanism of salt ions and polymer molecules in the dynamic shear environment.关键词
阴离子型聚丙烯酰胺水溶液/无机盐/剪切作用/径向分布函数/分子模拟Key words
anionic polyacrylamide aqueous solution/inorganic salt/shear effect/radial distribution function/molecular simulation分类
化学工程引用本文复制引用
吴柄秀,李汉勇,张怡航,吴姗姗,张志莲..无机盐对剪切作用下阴离子型聚丙烯酰胺水溶液作用机制的分子动力学模拟[J].石油化工,2025,54(11):1587-1593,7.
