Transport and Interfacial Properties of Mixed Molten Carbonate/Hydroxide Electrolytes by Molecular Dynamics Simulations

We use molecular dynamics simulations based on a recently developed force field to obtain the viscosity, ionic conductivity, and liquid–vapor surface tension of molten alkali-metal carbonate–hydroxide mixtures over a range of cation and hydroxide compositions. Recent experimental and simulation stud...

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Veröffentlicht in:	Journal of physical chemistry. C 2020-10, Vol.124 (43), p.23532-23540
Hauptverfasser:	Mondal, Anirban, Young, Jeffrey M, Barckholtz, Timothy A, Kiss, Gabor, Koziol, Lucas, Panagiotopoulos, Athanassios Z
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Energy Conversion and Storage Energy and Charge Transport Chemistry Materials Science Science & Technology - Other Topics
Online-Zugang:	Volltext
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