Ion Correlation-Driven Hysteretic Adhesion and Repulsion between Opposing Polyelectrolyte Brushes,ACS Macro Letters

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Ion Correlation-Driven Hysteretic Adhesion and Repulsion between Opposing Polyelectrolyte Brushes
ACS Macro Letters ( IF 5.1 ) Pub Date : 2024-08-14 , DOI: 10.1021/acsmacrolett.4c00426
Chao Duan ₁ , Rui Wang _{1,

2}

Affiliation

Polyelectrolyte (PE) brushes are widely used in biomaterials and nanotechnology to regulate the surface properties and interactions. Here, we apply the electrostatic correlation augmented self-consistent field theory to investigate the interactions between opposing PE brushes in a mixture of 1:1 and 3:1 salt solutions. Our theory predicts a hysteretic feature of the normal stress induced by strong ion correlations. In the presence of trivalent ions, the force profile is discontinuous: repulsive in the compression branch and adhesive in the separation branch. The molecular origin of the hysteretic force is the coexistence of two collapsed modes: two separated condensed layers on each surface in the compression and a single bundled condensed layer in the separation. With the systematic inclusion of ion correlations, our theory captures well the hysteretic force, adhesive separation, “jump-in” and “jump-out” features, and the “specific ion effect”, all in good agreement with the reported experimental results.

中文翻译：

相对聚电解质刷之间离子关联驱动的滞后粘附和排斥

聚电解质（PE）刷广泛应用于生物材料和纳米技术中，以调节表面特性和相互作用。在这里，我们应用静电相关增强自洽场理论来研究 1:1 和 3:1 盐溶液混合物中相对的 PE 刷之间的相互作用。我们的理论预测了由强离子相关性引起的正应力的滞后特征。在存在三价离子的情况下，力分布是不连续的：压缩分支中是排斥力，而分离分支中是粘合力。滞后力的分子起源是两种塌陷模式的共存：压缩时每个表面上有两个分离的凝聚层，分离时有一个单一的成束凝聚层。通过系统地包含离子相关性，我们的理论很好地捕捉了滞后力、粘合剂分离、“跳入”和“跳出”特征以及“特定离子效应”，所有这些都与报告的实验结果非常吻合。

更新日期：2024-08-14

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