Regensburg 2016 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 23: Charged Soft Matter

CPP 23.3: Vortrag

Dienstag, 8. März 2016, 14:45–15:00, H40

Influence of DMSO-water solvent mixtures on counterion condensation behavior of lithium ions on sulfone based sulfonic acid based dimers. — •anand narayanan krishnamoorthy, christian holm, and jens smiatek — Institute for computational physics - University of Stuttgart

Molecular dynamics simulations were performed to study the solvation behavior of sulfone based sulfonic acid dimers in DMSO(Dimethyl sulfoxide) - water mixtures. Previous study show that the non ideality of the binary mixture solution is due to the cluster formation of DMSO and water molecules through hydrogen bonds between donor DMSO oxygen atom and hydrogen atom of water. This non-ideal behavior is also observed in ionic condensation behavior of lithium ions on dimer surface for specific mole-fractions of DMSO-water mixtures. It is seen that the activity of DMSO drives the counterion condensation behavior of lithium ion on the dimer surface. The non-ideal behavior, we observe can be related to solvent-solvent interactions and preferential solvation of the dimer and the counter ions. In addition the non-ideal nature of the pure DMSO-water mixture is also seen in the diffusive behavior of the solvents and reduced diffusivity is witnessed in presence of the solute(dimer) and qualitatively support the experimental results.