Salt-specific effect on the solubility and aggregation of 1-butanol in water

Yifeng Yao, Masanari Nagasaka and Kenji Mochizuki

Physica A: Statistical Mechanics and its Applications, 2024, vol. 647, issue C

Abstract: The Hofmeister series is a classification of ions regarding their ability to stabilize or destabilize various types of solute molecules in water. In this study, we employ molecular dynamics simulations and C K-edge X-ray absorption spectroscopy to investigate how the solubility and aggregation of 1-butanol are affected by typical salting-out (SO42−), neutral (Cl−), and salting-in (ClO4−) ions in the Hofmeister anion series. Both our computational and experimental results confirm that the addition of any of the three salts enhances the aggregation of 1-butanol, compared to pure water, manifesting a salting-out effect. The distance dependence of the salt effect on solubility and aggregation, calculated based on the Kirkwood–Buff theory, emphasizes that all hydration shells up to a distance of 1.2 nm have a crucial role in determining solubility and the degree of aggregation.

Date: 2024
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:647:y:2024:i:c:s0378437124004266

DOI: 10.1016/j.physa.2024.129917

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