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Molecular Dynamics Simulations of Ammonium/Phosphonium-based Protic Ionic Liquids: Influence of Alkyl to Aryl group

The variation of center atom in cation from N to P-atom lead to improved physio-chemical properties of protic ionic liquids (PILs) which are suitable for electrolyte applications. We present atomistic simulations study to compare the effect of alkyl or aryl group on trioctylammonium triflate ([HN(Oct)3][TFO]

Authors:   Anirban Mondal; Anurag Prakash Sunda
Journal:   Physical Chemistry Chemical Physics
DOI:   10.1039/C8CP03004A
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