1. Effects of salt on solute association behavior in nanoconfined aqueous solutions.
- Author
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Zhao, Liang, Chen, Mang, Wang, Xian, Yang, Jinge, Shi, Zhimin, Chen, Qian, Song, Jingqiu, Shen, Wenhui, and Tu, Yusong
- Subjects
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AQUEOUS solutions , *SALT , *CLUSTERING of particles , *MICROCLUSTERS , *DISPERSION (Chemistry) , *MOLECULAR dynamics - Abstract
Highlights • Presence of salt influences the solute association behavior in nanoconfined solutions. • Dispersion, reversible and aggregation states are still observed. • Increase of salt concentration promotes the formation and growth of clusters. • Transformation of solute association states occurs due to ion polarization. • Tails are more in alignment along radius direction at higher salt concentrations. Abstract Using molecular dynamics simulations, we have studied the effects of salt on the association behavior of solute molecules in nanoconfined aqueous solutions. Three types of solute association states – dispersion, reversible and aggregation states – are still observed in nanoconfined aqueous solutions in the presence of salt. With the increase of ion concentration, the tendency toward the formation of larger clusters is enhanced and the solute critical aggregation number decreases. We even found the transformation of solute association state from the dispersion to the reversible state or from the reversible to the aggregation state within an intermediate range of solute number. This phenomenon is similar to the salting out process and is attributed to the decrease of free water molecules induced by the ion polarization. [ABSTRACT FROM AUTHOR]
- Published
- 2019
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