Effects of Hydrogen Bond Networks on Viscosity in Aqueous Solutions.

In aqueous solutions, the impact of ions on hydrogen bond networks plays a crucial role in transport properties. We used molecular dynamics simulations to explain how ions affect viscosity through structural changes. We developed a quantitative model to describe the effect of ions on viscosity. The model comprises two parts: the addition of ions alters hydrogen bond networks, and changes in hydrogen bond networks exponentially lead to changes in viscosity. The influence of ions on hydrogen bond networks involves the following mechanisms: first, ions can disrupt the tetrahedral structures within the first solvation shell into three-coordinated structures through substitution; second, structural changes within the first shells affect the global hydrogen bond network through electrostatic forces and the hindrance of ionic volumes. By analyzing the mechanisms of how hydrogen bond networks determine viscosity through the decomposition of viscosity, we found that the proportion of potential viscosity in aqueous solutions primarily increases due to the enhancement of non-hydrogen bonding interactions, and the proportion of hydrogen bonding viscosity decreases accordingly. Our results demonstrate that hydrogen bond networks are crucial for describing the changes in transport phenomena affected by external factors.