Structural Analysis of Molten NaNO3 by Molecular Dynamics Simulation
1 Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, Okinawa 903-0213, Japan
2 Niigata University of Pharmacy and Applied Life Sciences, Niigata 956-8603, Japan
* Corresponding author: firstname.lastname@example.org
Published online: 21 August 2017
MD simulation for molten NaNO3 has been performed by using the Born-Mayer-Huggins-type potentials. The new structural features of molten NaNO3 are investigated by several analytical methods. The coordination-number and bond-angle distributions are similar to those of simple molten salts such as NaCl except for the variation caused by the different size of the anion and cation. Na+ ions are attracted toward O− ions, and get separated from N+ ions by Coulomb interactions. The distribution of the dihedral angle between NO3 − plannar ionic molecules has also been investigated.
© The Authors, published by EDP Sciences, 2017
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