In the casting processes, the heat transfer coefficient at the metal/mould interface is an important controlling factor for the solidification rate and the resulting structure and mechanical properties. Several factors interact to determine its value, among which are the type of metal/alloy, the mould material and surface conditions, the mould and pouring temperatures, casting configuration, and the type of gases at the interfacial air gap formed. It is also time dependent. In this work, the air gap formation was computed using a numerical model of solidification, taking into consideration the shrinkage and expansion of the metal and mould, gas film formation, and the metallostatic pressure. The variation of the air gap formation and heat transfer coefficient at the metal mould interface are studied at the top, bottom, and side surfaces of Al and Al–Si castings in a permanent mould in the form of a simple rectangular parallelepiped. The results show that the air gap formation and the heat transfer coefficient are different for the different casting surfaces. The bottom surface where the metallostatic pressure makes for good contact between the metal and the mould exhibits the highest heat transfer coefficient. For the sidewalls, the air gap was found to depend on the casting thickness as the larger the thickness the larger the air gap. The air gap and heat transfer coefficient also depend on the surface roughness of the mould, the alloy type, and the melt superheat. The air gap is relatively large for low values of melt superheat. The better the surface finish, the higher the heat transfer coefficient in the first few seconds after pouring. For Al–Si alloys, the heat transfer coefficient increases with increasing Si content.