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The surface tension of aqueous NaCl (σ) is investigated by molecular dynamics simulations from dilute to highly supersaturated solutions. The linear approximation of concentration dependence of σ at molality scale can be extended to the supersaturated NaCl solution until the solute mass fraction (xNaCl) of ~0.39. After that, the σ remains almost unchanged until an xNaCl of ~0.47. Then the σ gradually regains the growing momentum with a tendency to approach the surface tension of molten NaCl.
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ACP | Articles | Volume 18, issue 23
Atmos. Chem. Phys., 18, 17077–17086, 2018
https://doi.org/10.5194/acp-18-17077-2018
Atmos. Chem. Phys., 18, 17077–17086, 2018
https://doi.org/10.5194/acp-18-17077-2018

Research article 04 Dec 2018

Research article | 04 Dec 2018

Molecular dynamics simulation of the surface tension of aqueous sodium chloride: from dilute to highly supersaturated solutions and molten salt

Xiaoxiang Wang et al.

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Cited articles

Abraham, M. J., Murtola, T., Schulz, R., Páll, S., Smith, J. C., Hess, B., and Lindahl, E.: GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers, SoftwareX., 1, 19–25, 2015. 
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Short summary
The surface tension of aqueous NaCl (σ) is investigated by molecular dynamics simulations from dilute to highly supersaturated solutions. The linear approximation of concentration dependence of σ at molality scale can be extended to the supersaturated NaCl solution until the solute mass fraction (xNaCl) of ~0.39. After that, the σ remains almost unchanged until an xNaCl of ~0.47. Then the σ gradually regains the growing momentum with a tendency to approach the surface tension of molten NaCl.
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