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Open AccessArticle

Homogeneous Nucleation Mechanism of NaCl in Aqueous Solutions

Key Laboratory of Orogenic Belts and Crustal Evolution, Ministry of Education, The School of Earth and Space Sciences, Peking University, Beijing 100871, China
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Crystals 2020, 10(2), 107; https://doi.org/10.3390/cryst10020107
Received: 17 January 2020 / Revised: 8 February 2020 / Accepted: 10 February 2020 / Published: 12 February 2020
(This article belongs to the Special Issue Crystal Growth from Liquid Phase)
In this study, molecular dynamic simulations are employed to investigate the homogeneous nucleation mechanism of NaCl crystal in solutions. According to the simulations, the dissolved behaviors of NaCl in water are dependent on ion concentrations. With increasing NaCl concentrations, the dissolved Na+ and Cl- ions tend to be aggregated in solutions. In combination with our recent studies, the aggregate of dissolved solutes is mainly ascribed to the hydrophobic interactions. Different from the two-step mechanism, no barrier is needed to overcome the formation of the aggregate. In comparison with the classical nucleation theory (CNT), because of the formation of solute aggregate, this lowers the barrier height of nucleation and affects the nucleation mechanism of NaCl crystal in water.
Keywords: nucleation; CNT; water; hydrophobic interactions; aggregate nucleation; CNT; water; hydrophobic interactions; aggregate
MDPI and ACS Style

Sun, Q.; Cui, S.; Zhang, M. Homogeneous Nucleation Mechanism of NaCl in Aqueous Solutions. Crystals 2020, 10, 107.

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