Thermal decomposition of phosphonium salicylate and phosphonium benzoate ionic liquids

The thermal stability of ionic liquids is important for their use in a variety applications. Here, reactive molecular dynamics simulations and thermogravimetric analyses were used to explore the decomposition mechanisms phosphonium salicylate benzoate. Experiments performed at different heating rates indicated that temperatures benzoate comparable, but was less stable than under isothermal high temperature conditions. lower compared reproduced simulations. also showed cation chain length had little effect on stability. revealed both occurred through many pathways could be broadly categorized as proton-transfer, association, dissociation reactions. underwent more these reactions exhibited wide range reaction each category salicylate. Multiple possible explored explain this difference it found dominant factor presence hydroxyl group affects ability oxygen atoms take part proton-transfer are first step all subsequent These findings demonstrate even subtle differences anion chemistry may significantly affect liquids, suggesting avenues tuning properties design.