We focus our work here on systems that are isotropic in the bulk in order to isolate the effects of the interfaces, to remove the additional complications associated with alignment of additional layers, and to broadly understand what happens under experimental conditions in which a thin film of anisotropic molecules is annealed from the melt, deposited from solution, or subjected to high operating temperatures. It is important to note, however, that device fabrication from an isotropic liquid phase is uncommon, and not expected to be possible at room temperature. The behaviour of isotropic liquids is therefore more applicable to post-processing of thin-film devices, which may involve treatment with high temperatures, than to the deposition process. Though studying only simple single-component systems, this work also presents an initial step towards understanding the behaviour of components of mixtures (such as solution-phase OSCs) at various interfaces, which has significant importance for the fabrication of OSC devices. Generalisation to interfaces with bulk fluids that are anisotropic is possible. We also focus on simulations of equilibrium fluid structure.