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Structure and Liquid Fragility in Sodium Carbonate
[component]
unpublished
The relationship between local structure and dynamics is explored for molten sodium carbonate. A flexible fluctuating-charge model, which allows for changes in the shape and charge distribution of the carbonate molecular anion, is developed. The system shows the evolution of highly temperaturedependent complex low-dimensional structures which control the dynamics (and hence the liquid fragility). By varying the molecular anion charge distribution the key interactions responsible for the
doi:10.1021/acs.jpca.7b10712.s001
fatcat:vtud6s2v6neypfa5bp4kvxo6hq