Molecular simulations of understanding the Na+ ion structure, dynamic and thermodynamic behavior...

Molecular Dynamics Simulations for Understanding the Structure and Dynamics of Na+ Ions in Water-Mixed Ionic Liquid Electrolytes: The Role of Anions

S Gupta, P Sappidi - Journal of Chemical & Engineering Data, 2024 - ACS Publications
In this paper, we have performed all-atom molecular dynamics simulations to understand the
structure, dynamics, and thermodynamic behavior of Na+ ions in water-mixed ionic liquids …
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Molecular dynamics simulation study of sodium ion structure & dynamics in water in ionic liquids electrolytes using 1-butyl-3-methyl imidazolium tetrafluoroborate and …

S Gupta, U Gupta, P Sappidi - Journal of Molecular Graphics and Modelling, 2024 - Elsevier
In this paper, we have performed an all-atom molecular dynamics simulation to understand
the structure and dynamics of Na+ ions in water mixed Ionic liquids (Water in Ionic liquid) …
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