This study deals with the prediction, by a mathematical model, and the corresponding experimental confirmation of the mechanochemical synthesis conditions ofMgO. The ballmilling process is a easy to implement in industry process but that involves several parameters whichmake it very complex to identify the optimum operating conditions. It was established that the reaction zone ofMgO is between accumulative energies of 41 to 64MJ/mol regardless of the grinding material or the conditions used.Above this region only MgO is obtained. It is necessary to have energies between 24 and 48 Wh/g and to have energies of impact greater than 0.025 J/hit to trigger the mechanochemical synthesis of MgO.