A third, and more frequent mechanism encompasses detachment trajectories for which the molecule does not follow a linear path in CV space, but rather the molecule explores a range of configurations in what was referred to previously as the disordered state (see Fig. ), an example of which is shown in Fig. in orange. This detachment mechanism, occurring via a disordered state, can be preceded by either a crystalline or a flipped starting configuration. The probability of observing a detachment mechanism via an intermediate disordered state, as shown in Fig. in orange, also varies upon changing the solvent and can be observed in approximately 30% Further to the discussion on the possible detachment mechanism, an investigation into the internal conformational rearrangement within the detaching molecule is carried out.This analysis reveals that conformational rearrangements occurring are diverse and inconsistent when comparing between simulations within the same setup group. As an example, a typical trajectory of time vs. distance is shown in Fig. , where colour represents the conformation, adopted by the detaching ibuprofen molecule, following the nomenclature proposed by Marinova et al. The trajectory chosen here is an example of the simplest form of detachment following a linear path in CV space without a change in the alignment angle. Even for this path of defect formation, conformational analysis reveals that a lot of internal conformational transformations are occurring. This observation is not surprising as the conformational population of ibuprofen is statedependent and so detachment is likely to be coupled with internal conformational rearrangements.