A step-wise ion hydration model of aqueous electrolyte solution: The 2:2, 2:1 and 1:2 punches

Mouad Arrad,Anthony S. Wexler

SSRN Electronic Journal(2023)

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摘要
In prior work we showed that the current step-wise hydration framework shows promise for modeling the concentration-activity relationship in aqueous solutions of ions representing 1:1 electrolytes, alcohols, and sugars, and accurately predicting the partitioning of the water between the bound (hydrated) pool and an unbound (free) pool. In the current work, we continue developing this framework by applying it to ions representing 2:2, 2:1 and 1:2 electrolyte in aqueous solutions. Properly treating ion hydration as an ideal solution along with employing mean spherical approximation of the long-range electrostatic interactions yields an accurate model for most electrolytes considered. This simple model of aqueous solutions is robust for electrolytes and organic solutes.
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关键词
Hydration,Activity,Electrolytes
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