The model was originally designed to confirm and enhance the capabilities of experimental research in the crystallization of pure aluminium (99.99% Al), specifically to determine the zone of the occurrence of columnar and equiaxed crystals and the positions of the transition interface. The character of primary crystallization was investigated on a simple cylindrical sample, crystallizing in a cast-iron mould pre-heated to various temperatures. The experimental research comprised the measurement of temperatures using thermocouples, the evaluation of the experimentally acquired temperature gradients G, and the shift rate of the phase transition interface R. The numerical model had been developed to expand the limited experimental capabilities of the evaluation of G and R to every point of the longitudinal section, based on the investigation of the 3D transient temperature field within the system comprising the casting, the mould and ambient. This enabled the prediction of the character of the crystallization in greater detail.