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Reversible transient nucleation in ionic solutionsas the precursor of ion crystallization

中文摘要英文摘要

Molecular dynamics simulations for aqueous sodium chloride solutions were carried out at various concentrations. Supplementary to the Debye-Huckel theory, reversible transient nucleation of ions was observed even in dilute solutions. The average size of formed ion clusters and the lifetime of ion pairs increases with concentration until the saturation point, when ion clusters become stable and individual ions adjust their positions to form ordered lattice structures, leading to irreversible ion crystallization, which is beyond the description of the classical nucleation theory.

Molecular dynamics simulations for aqueous sodium chloride solutions were carried out at various concentrations. Supplementary to the Debye-Huckel theory, reversible transient nucleation of ions was observed even in dilute solutions. The average size of formed ion clusters and the lifetime of ion pairs increases with concentration until the saturation point, when ion clusters become stable and individual ions adjust their positions to form ordered lattice structures, leading to irreversible ion crystallization, which is beyond the description of the classical nucleation theory.

Ren Gan、Wang Yan-Ting

10.12074/201605.00577V1

化学物理学晶体学

HOMOGENEOUS NUCLEATIONELECTROLYTE-SOLUTIONSACTIVITY-COEFFICIENTSAQUEOUS-SOLUTIONSDYNAMICSPHASESIMULATIONAGGREGATIONCRITICALITYCRYSTALS

Ren Gan,Wang Yan-Ting.Reversible transient nucleation in ionic solutionsas the precursor of ion crystallization[EB/OL].(2016-05-04)[2025-08-02].https://chinaxiv.org/abs/201605.00577.点此复制

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