Our aim in this work is to obtain information on the thermodynamics of surface defect formation on each of the morphologically dominant crystal facets of ibuprofen in the presence of different solvents. We analyse the apolar {100}, polar {100}, {011} and {002} faces, and analyse the complexity of the detachment mechanism associated with defect formation. Using MFI, we obtain a free energy profile of the process of formation of a surface defect, represented in Fig. as a transition between the states labelled as A and B, corresponding to a smooth surface, and a surface presenting a single surface vacancy to the solution environment. In order to investigate how differences in the environment, i.e. the specific surface and the solvent affect the mechanism of the detachment process, we also characterise the com-plexity of the detachment mechanism and the quality if the collective variables used to describe the process by critically analysing the distribution of transition times obtained from metadynamics simulations.