化学
位阻效应
盐(化学)
缩放比例
离子键合
离子强度
分子
水溶液
聚电解质
溶剂
化学物理
静电学
计算化学
盐溶液
氢键
溶剂效应
链条(单位)
稀释
高分子化学
密度泛函理论
功能理论
盐桥
分子间力
热力学
排除体积
高分子
疏水效应
结晶学
动态缩放
空间因子
化学工程
静电
聚合物
活度系数
农业
作者
Xiaoqin Cao,Zhenghua Sun,Yujun Feng,Runxi Wang,Hongyao Yin
标识
DOI:10.1021/acs.macromol.6c00561
摘要
The solution properties of charged functional polyacrylamides in saline environments are critical for their applications, yet a quantitative understanding of the effect of salt and molecular structure on their properties remains elusive. Herein, we systematically investigate the solution properties of negatively charged functional polyacrylamide, P(AM- co -AMPS), in semidilute solutions using a scaling approach, focusing on the roles of salt and AMPS molar fractions ( F S ). The result reveals that the excluded volume Ve decreases with increasing salt concentration and ionic valence. Concurrently, both Kuhn length b and Ve increase with F S in near-θ solvent conditions, scaling as b ∼ F S 0.45 and Ve ∼ F S 0.9 . Molecular simulations uncover the underlying mechanism, suggesting that the chain conformation and solution properties are governed by the balance between the competition of cation–polymer electrostatic interactions and the steric hindrance of AMPS units, where the former promotes chain contraction by weakening polymer–solvent interactions and the latter favors chain extension. These findings provide molecular-level insight into the solution properties of charged functional polyacrylamides in saline environments and establish a theoretical basis for designing salt-resistant functional polymers.
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