| To better study the structure and thermodynamics of ion solvation in nanotubes, we focus exclusively on the solvation of a solitary ion inside the channel. |
| However, this estimate does not include the dissipation of energy in the excited state due to solvation and vibrational cooling before dumping. |
| This indicates that TRH molecules are located close to the lipid headgroups, possibly mimicking the solvation by water molecules. |
| On the other hand, solvation between dissimilar molecules tends to produce negative deviations from Raoult's law. |
| The implicit solvation models developed in the group are employed extensively to improve the accuracy of the simulations. |
| Two different continuum electrostatic models are formulated to describe the ion solvation inside the nanotube. |
