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Molecular Dynamics simulations of supercritical ammonia and metal-ammonia solutions

Molecular Dynamics simulations of supercritical ammonia and metal-ammonia solutions

The results of Molecular Dynamics simulations of supercritical ammonia are reported for the first time. Qualitative agreement is found with neutron diffraction studies, the only experimental evidence on the structure of supercritical ammonia, so far. Based on the experiences with aqueous electrolyt...

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Bibliographic Details
Main Authors: Hannongbua, S., Kiselev, M., Heinzinger, K.
Format: Article
Language:English
Published: Інститут фізики конденсованих систем НАН України 2000
Series:Condensed Matter Physics
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/121029
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Summary:The results of Molecular Dynamics simulations of supercritical ammonia are reported for the first time. Qualitative agreement is found with neutron diffraction studies, the only experimental evidence on the structure of supercritical ammonia, so far. Based on the experiences with aqueous electrolyte solutions, it is discussed how the potentials describing ion-ammonia interactions in dilute and concentrated metal-ammonia solutions at subcritical conditions have to be modified for supercritical simulations.

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