Hydration of Kr(aq) in Dilute and Concentrated Solutions

Mangesh I Chaudhari1,2,3,4, Dubravko Sabo1,2,3,4, Lawrence R Pratt1,2,3,4

  • 1Center for Biological and Material Sciences, Sandia National Laboratories, Albuquerque, New Mexico 87123, United States.

Summary

Molecular dynamics simulations reveal hydration free energy of krypton(aq) using quasi-chemical theory. Increasing krypton concentrations show negative hydration free energy changes due to packing effects, yielding an attractive osmotic second virial coefficient.

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