Diffusion of cations in salt solutions between ice walls

Abstract

It is important for food, medical and energy engineering to control ice growth during cooling processes. Adding salts and antifreeze protein to water is a promising method for doing this. However, the effects of ions in solution on ice–water interface in narrow spaces have not yet been clarified. Therefore, we carried out molecular dynamics simulations of sodium chloride, potassium chloride and calcium chloride in water between ice walls. It was found that the peaks of the radial distribution function for calcium ions are highest among the cations. In addition, the diffusion coefficient of calcium ions was lower than those of the other ions. A further finding was that one water molecule on the interface and two water molecules adjacent to the interface in liquid phase were positioned in the first or second hydration shell for the calcium ion, which was located at the closest point to the interface. Such hydration shells caused the reductions in motion and diffusion coefficient of the specific calcium ion.

Keywords::

• ice wall
• calcium ions
• diffusion coefficient
• hydration shells

Acknowledgements

The authors acknowledge the financial support by JSPS Grant-in-Aid for Scientific Research (B) (No. 24360081). The authors thank Mr K. Terai at Kyoto Institute of Technology for his help.

Notes

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