In this work, a new smart copolymer based on polyacrylamide with the triblock classification was presented in order to propose an efficient associating polymeric material to create a physical network structure in saline water. To tune the desired copolymer, the effect of amide's type and hydrophobic pendant moieties of the potentially thermoresponsive end blocks on the physicochemical characteristics of the intermediate water-soluble block was studied in a solution containing Ca²⁺, Mg²⁺ and Cl⁻ via atomistic simulations. The investigation of ions' mechanism of action on the water's perturbations via the calculation of water's orientational order parameter demonstrated that the divalent ions, as strong chaotropic agents, changed the water's tetrahedrality. Moreover, the coordination complexes created by the divalent ions as the coordination center and the negatively charged elements of the blocks' amides as the complexing agents intensified this issue in the block-water interface via increasing the interfacial concentration of the cations. This phenomenon has affected the blocks' hydrophilicity and hydration levels, capturing and ordering of water by changing the water's interfacial tetrahedral H-bond network structure. These behavioral variations in the solution led to changes in the dimensional, conformational, dynamic and interactional characteristics of the copolymers' blocks.

在这项工作中，提出了一种基于聚丙烯酰胺的具有三嵌段分类的新型智能共聚物，以提出一种有效的缔合聚合物材料，以在盐水中创建物理网络结构。为了调整所需的共聚物，在含有 Ca ²⁺、Mg ²⁺和 Cl ^-的溶液中研究了潜在热响应性末端嵌段的酰胺类型和疏水侧基对中间水溶性嵌段的物理化学特性的影响通过原子模拟。通过计算水的取向序参数研究离子对水扰动的作用机制表明，二价离子作为强离液剂，改变了水的四面体性。此外，由作为配位中心的二价离子和作为络合剂的嵌段酰胺的带负电荷元素产生的配位络合物通过增加阳离子的界面浓度加剧了嵌段-水界面中的这个问题。这种现象通过改变水的界面四面体氢键网络结构，影响了嵌段的亲水性和水化水平，对水的捕获和排序。解决方案中的这些行为变化导致了维度的变化，